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ASINEX-ZINC00285605

 MMsINC code: MMs00108784
Type: Neutral
Formula: C15H20ClNO2
SMILES:   Clc1cc(C(=O)N2CC(CC(C2)C)C)c(OC)cc1
InChI:   InChI=1/C15H20ClNO2/c1-10-6-11(2)9-17(8-10)15(18)13-7-12(16)4-5-14(13)19-3/h4-5,7,10-11H,6,8-9H2,1-3H3/t10-,11+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.1627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.783 g/mol  logS: -3.36738  SlogP: 3.4667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.170418  Sterimol/B1: 2.35851  Sterimol/B2: 3.18346  Sterimol/B3: 5.54291
  Sterimol/B4: 7.2239  Sterimol/L: 12.8381 
 
 Surface and Volume Properties
  Accessible surface: 517.218  Positive charged surface: 337.661  Negative charged surface: 179.557  Volume: 273
  Hydrophobic surface: 443.854  Hydrophilic surface: 73.364
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.