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CHEMBRIDGE-ZINC01163932

 MMsINC code: MMs00676950
Type: Neutral
Formula: C14H10ClNO
SMILES:   Clc1cc2nc(oc2cc1)-c1ccc(cc1)C
InChI:   InChI=1/C14H10ClNO/c1-9-2-4-10(5-3-9)14-16-12-8-11(15)6-7-13(12)17-14/h2-8H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.9567 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.693 g/mol  logS: -5.90876  SlogP: 4.45662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00407093  Sterimol/B1: 2.1028  Sterimol/B2: 2.51218  Sterimol/B3: 3.88291
  Sterimol/B4: 4.03256  Sterimol/L: 15.7366 
 
 Surface and Volume Properties
  Accessible surface: 462.791  Positive charged surface: 221.578  Negative charged surface: 241.212  Volume: 225.125
  Hydrophobic surface: 423.486  Hydrophilic surface: 39.305
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.