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CHEMDIV-ZINC04800070

 MMsINC code: MMs00957825
Type: Neutral
Formula: C24H30N2O4
SMILES:   O(C)c1ccc(cc1)C1N(C(=O)CC1C(=O)N(CCCC)C)c1ccc(OC)cc1
InChI:   InChI=1/C24H30N2O4/c1-5-6-15-25(2)24(28)21-16-22(27)26(18-9-13-20(30-4)14-10-18)23(21)17-7-11-19(29-3)12-8-17/h7-14,21,23H,5-6,15-16H2,1-4H3/t21-,23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.217 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.514 g/mol  logS: -4.24766  SlogP: 4.152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154721  Sterimol/B1: 2.36098  Sterimol/B2: 5.97701  Sterimol/B3: 6.50974
  Sterimol/B4: 7.01274  Sterimol/L: 18.0326 
 
 Surface and Volume Properties
  Accessible surface: 678.266  Positive charged surface: 512.775  Negative charged surface: 165.49  Volume: 409.875
  Hydrophobic surface: 589.311  Hydrophilic surface: 88.955
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: no related molecules available.