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ENAMINE-ZINC06087662

 MMsINC code: MMs01655892
Type: Neutral
Formula: C19H25NO2
SMILES:   OC12CC3(CC(C1)CC(C3)C2)C(=O)NC(C)c1ccccc1
InChI:   InChI=1/C19H25NO2/c1-13(16-5-3-2-4-6-16)20-17(21)18-8-14-7-15(9-18)11-19(22,10-14)12-18/h2-6,13-15,22H,7-12H2,1H3,(H,20,21)/t13-,14-,15+,18+,19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.8893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.414 g/mol  logS: -3.40997  SlogP: 3.2906  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120428  Sterimol/B1: 2.21601  Sterimol/B2: 2.87314  Sterimol/B3: 5.00799
  Sterimol/B4: 6.33131  Sterimol/L: 14.9308 
 
 Surface and Volume Properties
  Accessible surface: 532.427  Positive charged surface: 360.045  Negative charged surface: 172.381  Volume: 303.375
  Hydrophobic surface: 448.699  Hydrophilic surface: 83.728
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.