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NCID-ZINC01577993

 MMsINC code: MMs02236135
Type: Neutral
Formula: C10H5ClN4O2
SMILES:   Clc1cc2nc3c(nc2cc1)NC(=O)NC3=O
InChI:   InChI=1/C10H5ClN4O2/c11-4-1-2-5-6(3-4)12-7-8(13-5)14-10(17)15-9(7)16/h1-3H,(H2,13,14,15,16,17)

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Potential Energy
Epot(MMFF94)=30.8271 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.629 g/mol  logS: -2.43557  SlogP: 1.5585  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.15455e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09822  Sterimol/B3: 3.25933
  Sterimol/B4: 5.15885  Sterimol/L: 13.4537 
 
 Surface and Volume Properties
  Accessible surface: 396.559  Positive charged surface: 182.553  Negative charged surface: 214.006  Volume: 194.125
  Hydrophobic surface: 183.827  Hydrophilic surface: 212.732
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.