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PUBCHEM-ZINC05426936

 MMsINC code: MMs03267258
Type: Neutral
Formula: C14H9Cl2NO3
SMILES:   Clc1ccc(Cl)cc1\N=C\c1cc(ccc1O)C(O)=O
InChI:   InChI=1/C14H9Cl2NO3/c15-10-2-3-11(16)12(6-10)17-7-9-5-8(14(19)20)1-4-13(9)18/h1-7,18H,(H,19,20)/b17-7+

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Potential Energy
Epot(MMFF94)=65.0694 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.136 g/mol  logS: -4.38565  SlogP: 4.1478  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0206939  Sterimol/B1: 2.80459  Sterimol/B2: 3.33228  Sterimol/B3: 3.76006
  Sterimol/B4: 5.95649  Sterimol/L: 15.539 
 
 Surface and Volume Properties
  Accessible surface: 500.405  Positive charged surface: 219.672  Negative charged surface: 280.734  Volume: 258.125
  Hydrophobic surface: 363.12  Hydrophilic surface: 137.285
 
 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


MMs03267259
PUBCHEM-ZINC05426936