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PUBCHEM-ZINC00556107

 MMsINC code: MMs02701954
Type: Neutral
Formula: C13H10Cl2N2O2
SMILES:   Clc1cc(cc(Cl)c1OC)C(=O)Nc1cccnc1
InChI:   InChI=1/C13H10Cl2N2O2/c1-19-12-10(14)5-8(6-11(12)15)13(18)17-9-3-2-4-16-7-9/h2-7H,1H3,(H,17,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.5225 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.141 g/mol  logS: -3.61569  SlogP: 3.6493  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0214706  Sterimol/B1: 2.24519  Sterimol/B2: 3.71182  Sterimol/B3: 4.19755
  Sterimol/B4: 5.13551  Sterimol/L: 16.235 
 
 Surface and Volume Properties
  Accessible surface: 496.154  Positive charged surface: 271.637  Negative charged surface: 224.517  Volume: 251.125
  Hydrophobic surface: 433.688  Hydrophilic surface: 62.466
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.