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CHEMBRIDGE-ZINC00470956

 MMsINC code: MMs00626828
Type: Neutral
Formula: C19H24ClNO2
SMILES:   Clc1cc(ccc1OCC)C(=O)NC1C2CC3CC1CC(C2)C3
InChI:   InChI=1/C19H24ClNO2/c1-2-23-17-4-3-13(10-16(17)20)19(22)21-18-14-6-11-5-12(8-14)9-15(18)7-11/h3-4,10-12,14-15,18H,2,5-9H2,1H3,(H,21,22)/t11-,12+,14-,15+,18-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.1327 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.859 g/mol  logS: -5.34393  SlogP: 4.2932  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0548614  Sterimol/B1: 3.83657  Sterimol/B2: 4.04686  Sterimol/B3: 4.46824
  Sterimol/B4: 4.56382  Sterimol/L: 17.6906 
 
 Surface and Volume Properties
  Accessible surface: 569.903  Positive charged surface: 372.829  Negative charged surface: 197.074  Volume: 319.125
  Hydrophobic surface: 515.126  Hydrophilic surface: 54.777
 
 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.