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CHEMBRIDGE-ZINC01116670

 MMsINC code: MMs00663437
Type: Neutral
Formula: C20H23ClN2O2
SMILES:   Clc1ccccc1-c1noc(C)c1C(=O)NC(C)C1C2CC(C1)CC2
InChI:   InChI=1/C20H23ClN2O2/c1-11(16-10-13-7-8-14(16)9-13)22-20(24)18-12(2)25-23-19(18)15-5-3-4-6-17(15)21/h3-6,11,13-14,16H,7-10H2,1-2H3,(H,22,24)/t11-,13+,14-,16+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.3082 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.869 g/mol  logS: -6.53498  SlogP: 4.85792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116231  Sterimol/B1: 2.44142  Sterimol/B2: 3.50265  Sterimol/B3: 5.10402
  Sterimol/B4: 9.41199  Sterimol/L: 14.5369 
 
 Surface and Volume Properties
  Accessible surface: 596.32  Positive charged surface: 334.265  Negative charged surface: 262.055  Volume: 343.625
  Hydrophobic surface: 532.531  Hydrophilic surface: 63.789
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.