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PUBCHEM-ZINC05569678

 MMsINC code: MMs03309705
Type: Neutral
Formula: C15H12ClNO3
SMILES:   Clc1ccc(cc1)C(=O)NCc1ccc(cc1)C(O)=O
InChI:   InChI=1/C15H12ClNO3/c16-13-7-5-11(6-8-13)14(18)17-9-10-1-3-12(4-2-10)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)

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Potential Energy
Epot(MMFF94)=45.1696 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.718 g/mol  logS: -4.0026  SlogP: 3.2346  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0603017  Sterimol/B1: 2.51793  Sterimol/B2: 3.43166  Sterimol/B3: 4.83753
  Sterimol/B4: 5.4565  Sterimol/L: 16.6995 
 
 Surface and Volume Properties
  Accessible surface: 517.244  Positive charged surface: 247.524  Negative charged surface: 269.72  Volume: 260.5
  Hydrophobic surface: 375.395  Hydrophilic surface: 141.849
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs03309706
PUBCHEM-ZINC05569678