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ASINEX-ZINC04614759

 MMsINC code: MMs00356362
Type: Neutral
Formula: C23H30N2O4
SMILES:   O(C)c1c(OC)cc(cc1OC)C(=O)N1CCN(CC1)Cc1ccc(cc1)CC
InChI:   InChI=1/C23H30N2O4/c1-5-17-6-8-18(9-7-17)16-24-10-12-25(13-11-24)23(26)19-14-20(27-2)22(29-4)21(15-19)28-3/h6-9,14-15H,5,10-13,16H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=147.244 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.503 g/mol  logS: -4.37993  SlogP: 3.49917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0871037  Sterimol/B1: 3.36671  Sterimol/B2: 3.43854  Sterimol/B3: 5.33496
  Sterimol/B4: 7.55489  Sterimol/L: 18.3288 
 
 Surface and Volume Properties
  Accessible surface: 703.42  Positive charged surface: 560.195  Negative charged surface: 143.225  Volume: 401
  Hydrophobic surface: 622.99  Hydrophilic surface: 80.43
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00356363
ASINEX-ZINC04614759