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CHEMBRIDGE-ZINC00440505

 MMsINC code: MMs00615953
Type: Neutral
Formula: C14H10Cl2N2O4
SMILES:   Clc1cc(Cl)ccc1C(=O)N\N=C\c1ccc(O)c(O)c1O
InChI:   InChI=1/C14H10Cl2N2O4/c15-8-2-3-9(10(16)5-8)14(22)18-17-6-7-1-4-11(19)13(21)12(7)20/h1-6,19-21H,(H,18,22)/b17-6+

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Potential Energy
Epot(MMFF94)=109.353 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.15 g/mol  logS: -3.92088  SlogP: 2.8741  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00354957  Sterimol/B1: 2.09844  Sterimol/B2: 2.32162  Sterimol/B3: 2.90088
  Sterimol/B4: 6.35716  Sterimol/L: 18.2946 
 
 Surface and Volume Properties
  Accessible surface: 541.913  Positive charged surface: 262.204  Negative charged surface: 279.709  Volume: 274.5
  Hydrophobic surface: 356.18  Hydrophilic surface: 185.733
 
 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.