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PUBCHEM-ZINC06157699

 MMsINC code: MMs03568717
Type: Neutral
Formula: C15H13ClN2O4
SMILES:   Clc1cc(C(=O)N\N=C(/C)\c2ccc(O)cc2O)c(O)cc1
InChI:   InChI=1/C15H13ClN2O4/c1-8(11-4-3-10(19)7-14(11)21)17-18-15(22)12-6-9(16)2-5-13(12)20/h2-7,19-21H,1H3,(H,18,22)/b17-8-

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Potential Energy
Epot(MMFF94)=104.384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.732 g/mol  logS: -3.49275  SlogP: 2.6108  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0777135  Sterimol/B1: 2.33595  Sterimol/B2: 3.019  Sterimol/B3: 4.33925
  Sterimol/B4: 8.52125  Sterimol/L: 13.1508 
 
 Surface and Volume Properties
  Accessible surface: 534.237  Positive charged surface: 283.878  Negative charged surface: 250.358  Volume: 277.625
  Hydrophobic surface: 348.681  Hydrophilic surface: 185.556
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.