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CHEMBRIDGE-ZINC00037265

 MMsINC code: MMs00584043
Type: Neutral
Formula: C14H10ClFN2O2
SMILES:   Clc1cccc(F)c1\C=N\NC(=O)c1ccccc1O
InChI:   InChI=1/C14H10ClFN2O2/c15-11-5-3-6-12(16)10(11)8-17-18-14(20)9-4-1-2-7-13(9)19/h1-8,19H,(H,18,20)/b17-8+

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Potential Energy
Epot(MMFF94)=93.8014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.697 g/mol  logS: -4.20547  SlogP: 2.9486  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00124509  Sterimol/B1: 2.14145  Sterimol/B2: 2.18831  Sterimol/B3: 2.53676
  Sterimol/B4: 5.83308  Sterimol/L: 16.4281 
 
 Surface and Volume Properties
  Accessible surface: 494.027  Positive charged surface: 251.397  Negative charged surface: 242.63  Volume: 249.875
  Hydrophobic surface: 392.74  Hydrophilic surface: 101.287
 
 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.