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ENAMINE-ZINC03349250

 MMsINC code: MMs01388475
Type: Neutral
Formula: C13H12ClN3O2
SMILES:   Clc1ncccc1NC(=O)Nc1ccccc1OC
InChI:   InChI=1/C13H12ClN3O2/c1-19-11-7-3-2-5-9(11)16-13(18)17-10-6-4-8-15-12(10)14/h2-8H,1H3,(H2,16,17,18)

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Potential Energy
Epot(MMFF94)=80.6597 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.711 g/mol  logS: -3.08984  SlogP: 3.3876  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0437944  Sterimol/B1: 2.48866  Sterimol/B2: 2.57476  Sterimol/B3: 4.53906
  Sterimol/B4: 6.9257  Sterimol/L: 14.6758 
 
 Surface and Volume Properties
  Accessible surface: 487.292  Positive charged surface: 298.3  Negative charged surface: 188.992  Volume: 243.5
  Hydrophobic surface: 410.015  Hydrophilic surface: 77.277
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.