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CHEMBRIDGE-ZINC00313340

MMsINC code: MMs00606949

Type: Neutral
Formula: C20H16ClNO2
SMILES:   Clc1cc(NC(=O)C(c2ccccc2)c2ccccc2)c(O)cc1
InChI:   InChI=1/C20H16ClNO2/c21-16-11-12-18(23)17(13-16)22-20(24)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,23H,(H,22,24)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=111.66 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.806 g/mol  logS: -5.43114  SlogP: 4.8162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143842  Sterimol/B1: 2.95938  Sterimol/B2: 3.56701  Sterimol/B3: 4.33668
  Sterimol/B4: 9.12694  Sterimol/L: 13.8935 
 
 Surface and Volume Properties
  Accessible surface: 575.797  Positive charged surface: 288.927  Negative charged surface: 286.87  Volume: 315.375
  Hydrophobic surface: 512.713  Hydrophilic surface: 63.084
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.