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CHEMDIV-ZINC00425708

 MMsINC code: MMs00851242
Type: Neutral
Formula: C17H12Cl2N2O2
SMILES:   Clc1cc(ccc1Cl)-c1onc(c1)C(=O)N(C)c1ccccc1
InChI:   InChI=1/C17H12Cl2N2O2/c1-21(12-5-3-2-4-6-12)17(22)15-10-16(23-20-15)11-7-8-13(18)14(19)9-11/h2-10H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.334 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.201 g/mol  logS: -5.91191  SlogP: 4.925  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00444095  Sterimol/B1: 1.97976  Sterimol/B2: 2.32272  Sterimol/B3: 2.49188
  Sterimol/B4: 6.99536  Sterimol/L: 18.955 
 
 Surface and Volume Properties
  Accessible surface: 554.435  Positive charged surface: 246.97  Negative charged surface: 307.465  Volume: 297.75
  Hydrophobic surface: 511.693  Hydrophilic surface: 42.742
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.