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PUBCHEM-ZINC06439741

 MMsINC code: MMs03730326
Type: Neutral
Formula: C19H24ClNO2
SMILES:   Clc1cc(ccc1OCC)C(=O)NC12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C19H24ClNO2/c1-2-23-17-4-3-15(8-16(17)20)18(22)21-19-9-12-5-13(10-19)7-14(6-12)11-19/h3-4,8,12-14H,2,5-7,9-11H2,1H3,(H,21,22)/t12-,13+,14-,19-

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Potential Energy
Epot(MMFF94)=75.2715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.859 g/mol  logS: -5.46937  SlogP: 4.4373  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0518163  Sterimol/B1: 3.62477  Sterimol/B2: 3.62649  Sterimol/B3: 4.13782
  Sterimol/B4: 5.07676  Sterimol/L: 17.5175 
 
 Surface and Volume Properties
  Accessible surface: 571.945  Positive charged surface: 381.969  Negative charged surface: 189.976  Volume: 317.125
  Hydrophobic surface: 523.738  Hydrophilic surface: 48.207
 
 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.