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CHEMBRIDGE-ZINC04845004

 MMsINC code: MMs00801308
Type: Neutral
Formula: C19H24FNO2
SMILES:   Fc1ccccc1OCCNC(=O)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C19H24FNO2/c20-16-3-1-2-4-17(16)23-6-5-21-18(22)19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2,(H,21,22)/t13-,14+,15-,19-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.1827 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.404 g/mol  logS: -5.30068  SlogP: 3.5371  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0906557  Sterimol/B1: 3.19931  Sterimol/B2: 4.14365  Sterimol/B3: 4.62313
  Sterimol/B4: 4.89452  Sterimol/L: 15.9178 
 
 Surface and Volume Properties
  Accessible surface: 561.505  Positive charged surface: 393.19  Negative charged surface: 168.315  Volume: 308.125
  Hydrophobic surface: 531.648  Hydrophilic surface: 29.857
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.