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CHEMBRIDGE-ZINC01141407

 MMsINC code: MMs00670070
Type: Neutral
Formula: C24H27NO2
SMILES:   O(Cc1ccccc1)c1cc(ccc1)C(=O)NC1C2CC3CC1CC(C2)C3
InChI:   InChI=1/C24H27NO2/c26-24(25-23-20-10-17-9-18(12-20)13-21(23)11-17)19-7-4-8-22(14-19)27-15-16-5-2-1-3-6-16/h1-8,14,17-18,20-21,23H,9-13,15H2,(H,25,26)/t17-,18+,20-,21+,23-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.5993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.485 g/mol  logS: -6.05033  SlogP: 5.0865  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0488429  Sterimol/B1: 2.85717  Sterimol/B2: 3.71674  Sterimol/B3: 4.03107
  Sterimol/B4: 6.57278  Sterimol/L: 19.7583 
 
 Surface and Volume Properties
  Accessible surface: 646.089  Positive charged surface: 419.962  Negative charged surface: 226.127  Volume: 367.125
  Hydrophobic surface: 605.089  Hydrophilic surface: 41
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.