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PUBCHEM-ZINC00399248

 MMsINC code: MMs02675093
Type: Neutral
Formula: C11H10ClN3O2
SMILES:   Clc1cc(OC)c(NC(=O)n2ccnc2)cc1
InChI:   InChI=1/C11H10ClN3O2/c1-17-10-6-8(12)2-3-9(10)14-11(16)15-5-4-13-7-15/h2-7H,1H3,(H,14,16)

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Potential Energy
Epot(MMFF94)=69.8409 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.673 g/mol  logS: -2.72017  SlogP: 2.6253  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0177376  Sterimol/B1: 2.3916  Sterimol/B2: 2.54911  Sterimol/B3: 2.76342
  Sterimol/B4: 7.4061  Sterimol/L: 14.4012 
 
 Surface and Volume Properties
  Accessible surface: 454.247  Positive charged surface: 277.55  Negative charged surface: 176.697  Volume: 218.125
  Hydrophobic surface: 370.945  Hydrophilic surface: 83.302
 
 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.