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CHEMBRIDGE-ZINC02052325

 MMsINC code: MMs00700917
Type: Neutral
Formula: C25H25ClN2O
SMILES:   Clc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1N1CCCCC1
InChI:   InChI=1/C25H25ClN2O/c26-22-18-21(14-15-23(22)28-16-8-3-9-17-28)27-25(29)24(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-2,4-7,10-15,18,24H,3,8-9,16-17H2,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=166.37 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.941 g/mol  logS: -6.47465  SlogP: 6.1009  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0779437  Sterimol/B1: 2.42917  Sterimol/B2: 3.20896  Sterimol/B3: 4.55396
  Sterimol/B4: 9.07806  Sterimol/L: 17.7491 
 
 Surface and Volume Properties
  Accessible surface: 686.951  Positive charged surface: 414.108  Negative charged surface: 272.843  Volume: 396.5
  Hydrophobic surface: 650.737  Hydrophilic surface: 36.214
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.