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COMGENEX-ZINC00260349

 MMsINC code: MMs01121488
Type: Neutral
Formula: C14H11ClN2O2
SMILES:   Clc1ccc(cc1)C(=O)N\N=C\c1ccccc1O
InChI:   InChI=1/C14H11ClN2O2/c15-12-7-5-10(6-8-12)14(19)17-16-9-11-3-1-2-4-13(11)18/h1-9,18H,(H,17,19)/b16-9+

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Potential Energy
Epot(MMFF94)=86.4199 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: 0.00131476  Sterimol/B1: 2.14415  Sterimol/B2: 2.16404  Sterimol/B3: 2.88637
  Sterimol/B4: 4.91462  Sterimol/L: 17.6844 
 
 Surface and Volume Properties
  Accessible surface: 505.303  Positive charged surface: 247.185  Negative charged surface: 258.117  Volume: 246.375
  Hydrophobic surface: 400.308  Hydrophilic surface: 104.995
 
 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.