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ASINEX-ZINC00296446

 MMsINC code: MMs00112288
Type: Neutral
Formula: C14H10Cl3NO2
SMILES:   Clc1cc(NC(=O)COc2ccc(Cl)cc2)cc(Cl)c1
InChI:   InChI=1/C14H10Cl3NO2/c15-9-1-3-13(4-2-9)20-8-14(19)18-12-6-10(16)5-11(17)7-12/h1-7H,8H2,(H,18,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.7835 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.598 g/mol  logS: -5.63456  SlogP: 4.6643  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0136772  Sterimol/B1: 2.67815  Sterimol/B2: 3.11668  Sterimol/B3: 3.63824
  Sterimol/B4: 5.39286  Sterimol/L: 17.95 
 
 Surface and Volume Properties
  Accessible surface: 543.137  Positive charged surface: 203.05  Negative charged surface: 340.087  Volume: 272.375
  Hydrophobic surface: 491.474  Hydrophilic surface: 51.663
 
 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.