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PUBCHEM-ZINC06206353

 MMsINC code: MMs03614083
Type: Neutral
Formula: C14H13ClN2O2
SMILES:   Clc1ccccc1/C(=N\NC(=O)c1oc(cc1)C)/C
InChI:   InChI=1/C14H13ClN2O2/c1-9-7-8-13(19-9)14(18)17-16-10(2)11-5-3-4-6-12(11)15/h3-8H,1-2H3,(H,17,18)/b16-10-

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Potential Energy
Epot(MMFF94)=77.1334 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.723 g/mol  logS: -4.64356  SlogP: 3.39542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0746205  Sterimol/B1: 3.64307  Sterimol/B2: 3.68915  Sterimol/B3: 4.17654
  Sterimol/B4: 6.73375  Sterimol/L: 13.0078 
 
 Surface and Volume Properties
  Accessible surface: 513.788  Positive charged surface: 260.492  Negative charged surface: 253.295  Volume: 256.625
  Hydrophobic surface: 451.781  Hydrophilic surface: 62.007
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.