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CHEMBRIDGE-ZINC00112798

 MMsINC code: MMs00588878
Type: Neutral
Formula: C15H13ClN2O2
SMILES:   Clc1ccccc1C(=O)N\N=C(\C)/c1ccc(O)cc1
InChI:   InChI=1/C15H13ClN2O2/c1-10(11-6-8-12(19)9-7-11)17-18-15(20)13-4-2-3-5-14(13)16/h2-9,19H,1H3,(H,18,20)/b17-10+

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Potential Energy
Epot(MMFF94)=99.3508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.734 g/mol  logS: -4.21665  SlogP: 3.1996  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00396163  Sterimol/B1: 2.04837  Sterimol/B2: 2.15244  Sterimol/B3: 2.50633
  Sterimol/B4: 7.21939  Sterimol/L: 17.0254 
 
 Surface and Volume Properties
  Accessible surface: 515.841  Positive charged surface: 253.507  Negative charged surface: 262.334  Volume: 263.75
  Hydrophobic surface: 416.295  Hydrophilic surface: 99.546
 
 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.