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COMGENEX-ZINC00288570

 MMsINC code: MMs01121497
Type: Neutral
Formula: C14H11ClN2O2
SMILES:   Clc1ccc(cc1)\C=N\NC(=O)c1ccc(O)cc1
InChI:   InChI=1/C14H11ClN2O2/c15-12-5-1-10(2-6-12)9-16-17-14(19)11-3-7-13(18)8-4-11/h1-9,18H,(H,17,19)/b16-9+

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Potential Energy
Epot(MMFF94)=76.7508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.707 g/mol  logS: -3.91049  SlogP: 2.8095  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00117342  Sterimol/B1: 2.13609  Sterimol/B2: 2.19222  Sterimol/B3: 2.5267
  Sterimol/B4: 5.28946  Sterimol/L: 18.2437 
 
 Surface and Volume Properties
  Accessible surface: 506.352  Positive charged surface: 246.043  Negative charged surface: 260.309  Volume: 246.125
  Hydrophobic surface: 380.765  Hydrophilic surface: 125.587
 
 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.