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NCID-ZINC01870249

 MMsINC code: MMs02376040
Type: Neutral
Formula: C15H10ClNO
SMILES:   Clc1ccc(cc1)-c1noc(c1)-c1ccccc1
InChI:   InChI=1/C15H10ClNO/c16-13-8-6-11(7-9-13)14-10-15(18-17-14)12-4-2-1-3-5-12/h1-10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.6053 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.704 g/mol  logS: -5.55588  SlogP: 4.662  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.82702e-07  Sterimol/B1: 2.09708  Sterimol/B2: 2.10289  Sterimol/B3: 3.50689
  Sterimol/B4: 4.30241  Sterimol/L: 16.6481 
 
 Surface and Volume Properties
  Accessible surface: 475.547  Positive charged surface: 197.23  Negative charged surface: 278.318  Volume: 237.375
  Hydrophobic surface: 445.985  Hydrophilic surface: 29.562
 
 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.