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CHEMBRIDGE-ZINC02881731

MMsINC code: MMs00734253

Type: Neutral
Formula: C14H11Cl3N2O
SMILES:   Clc1ccccc1CNC(=O)Nc1cc(Cl)c(Cl)cc1
InChI:   InChI=1/C14H11Cl3N2O/c15-11-4-2-1-3-9(11)8-18-14(20)19-10-5-6-12(16)13(17)7-10/h1-7H,8H2,(H2,18,19,20)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=34.5303 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.614 g/mol  logS: -5.39896  SlogP: 5.2349  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0541408  Sterimol/B1: 2.72991  Sterimol/B2: 3.54246  Sterimol/B3: 4.64364
  Sterimol/B4: 4.98248  Sterimol/L: 17.4332 
 
 Surface and Volume Properties
  Accessible surface: 542.74  Positive charged surface: 220.088  Negative charged surface: 322.651  Volume: 274.625
  Hydrophobic surface: 476.825  Hydrophilic surface: 65.915
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.