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CHEMBRIDGE-ZINC04181352

 MMsINC code: MMs00765031
Type: Neutral
Formula: C23H29NO4
SMILES:   O1CCC(CC1)(CNC(=O)c1ccc(OCCC)cc1)c1ccc(OC)cc1
InChI:   InChI=1/C23H29NO4/c1-3-14-28-21-8-4-18(5-9-21)22(25)24-17-23(12-15-27-16-13-23)19-6-10-20(26-2)11-7-19/h4-11H,3,12-17H2,1-2H3,(H,24,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.937 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.488 g/mol  logS: -4.43426  SlogP: 3.9622  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.096756  Sterimol/B1: 3.56326  Sterimol/B2: 5.31033  Sterimol/B3: 6.16421
  Sterimol/B4: 6.87794  Sterimol/L: 17.9657 
 
 Surface and Volume Properties
  Accessible surface: 692.443  Positive charged surface: 491.216  Negative charged surface: 201.227  Volume: 387.375
  Hydrophobic surface: 604.121  Hydrophilic surface: 88.322
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: no related molecules available.