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PUBCHEM-ZINC02791272

 MMsINC code: MMs02927549
Type: Neutral
Formula: C15H10ClN3O2
SMILES:   Clc1ccc(nc1)NC(=O)c1noc(c1)-c1ccccc1
InChI:   InChI=1/C15H10ClN3O2/c16-11-6-7-14(17-9-11)18-15(20)12-8-13(21-19-12)10-4-2-1-3-5-10/h1-9H,(H,17,18,20)

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Potential Energy
Epot(MMFF94)=70.0218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.717 g/mol  logS: -4.33673  SlogP: 3.6423  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000331477  Sterimol/B1: 2.15788  Sterimol/B2: 2.23823  Sterimol/B3: 3.67792
  Sterimol/B4: 4.10936  Sterimol/L: 18.8548 
 
 Surface and Volume Properties
  Accessible surface: 528.685  Positive charged surface: 254.787  Negative charged surface: 273.898  Volume: 260.5
  Hydrophobic surface: 434.669  Hydrophilic surface: 94.016
 
 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.