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PUBCHEM-ZINC05816772

 MMsINC code: MMs03395865
Type: Neutral
Formula: C15H12Cl2N2O3
SMILES:   Clc1cc(Cl)ccc1C(=O)N\N=C(/C)\c1ccc(O)cc1O
InChI:   InChI=1/C15H12Cl2N2O3/c1-8(11-5-3-10(20)7-14(11)21)18-19-15(22)12-4-2-9(16)6-13(12)17/h2-7,20-21H,1H3,(H,19,22)/b18-8-

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Potential Energy
Epot(MMFF94)=103.033 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.178 g/mol  logS: -4.58899  SlogP: 3.5586  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0783361  Sterimol/B1: 2.34844  Sterimol/B2: 2.96972  Sterimol/B3: 4.38745
  Sterimol/B4: 8.25465  Sterimol/L: 13.5198 
 
 Surface and Volume Properties
  Accessible surface: 547.99  Positive charged surface: 252.393  Negative charged surface: 295.597  Volume: 285.625
  Hydrophobic surface: 407.603  Hydrophilic surface: 140.387
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.