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PUBCHEM-ZINC01199965

 MMsINC code: MMs02786814
Type: Neutral
Formula: C15H10ClNO2
SMILES:   Clc1cc(-c2onc(c2)-c2ccccc2)c(O)cc1
InChI:   InChI=1/C15H10ClNO2/c16-11-6-7-14(18)12(8-11)15-9-13(17-19-15)10-4-2-1-3-5-10/h1-9,18H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.1611 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.703 g/mol  logS: -5.19393  SlogP: 4.3676  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0270584  Sterimol/B1: 2.53662  Sterimol/B2: 3.3956  Sterimol/B3: 4.53641
  Sterimol/B4: 4.67823  Sterimol/L: 15.457 
 
 Surface and Volume Properties
  Accessible surface: 488.987  Positive charged surface: 219.195  Negative charged surface: 269.792  Volume: 244.375
  Hydrophobic surface: 417.569  Hydrophilic surface: 71.418
 
 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.