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ASINEX-ZINC04309511

 MMsINC code: MMs00323912
Type: Neutral
Formula: C25H30N2O4
SMILES:   O(C)c1ccc(cc1)C1N(CCN(CC)CC)C(=O)C(=O)C1C(=O)c1ccc(cc1)C
InChI:   InChI=1/C25H30N2O4/c1-5-26(6-2)15-16-27-22(18-11-13-20(31-4)14-12-18)21(24(29)25(27)30)23(28)19-9-7-17(3)8-10-19/h7-14,21-22H,5-6,15-16H2,1-4H3/t21-,22+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.4703 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.525 g/mol  logS: -4.83755  SlogP: 3.39242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0915298  Sterimol/B1: 3.13054  Sterimol/B2: 5.71903  Sterimol/B3: 5.81768
  Sterimol/B4: 9.15626  Sterimol/L: 18.201 
 
 Surface and Volume Properties
  Accessible surface: 738.282  Positive charged surface: 478.393  Negative charged surface: 259.889  Volume: 424.625
  Hydrophobic surface: 590.972  Hydrophilic surface: 147.31
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00323914
ASINEX-ZINC04309511


MMs00323917
ASINEX-ZINC04309511


MMs00323915
ASINEX-ZINC04309511


MMs00323913
ASINEX-ZINC04309511


MMs00323919
ASINEX-ZINC04309511


MMs00323916
ASINEX-ZINC04309511


MMs00323918
ASINEX-ZINC04309511