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ASINEX-ZINC00208006

 MMsINC code: MMs00092529
Type: Neutral
Formula: C10H7Cl2N3O
SMILES:   Clc1cc(NC(=O)c2n[nH]cc2)ccc1Cl
InChI:   InChI=1/C10H7Cl2N3O/c11-7-2-1-6(5-8(7)12)14-10(16)9-3-4-13-15-9/h1-5H,(H,13,15)(H,14,16)

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Potential Energy
Epot(MMFF94)=54.9956 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.092 g/mol  logS: -3.41241  SlogP: 2.9688  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0160614  Sterimol/B1: 2.097  Sterimol/B2: 2.79343  Sterimol/B3: 3.02905
  Sterimol/B4: 5.25214  Sterimol/L: 14.8463 
 
 Surface and Volume Properties
  Accessible surface: 430.986  Positive charged surface: 176.93  Negative charged surface: 254.055  Volume: 205.875
  Hydrophobic surface: 294.643  Hydrophilic surface: 136.343
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.