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PUBCHEM-ZINC05161668

 MMsINC code: MMs03217118
Type: Ionized
Formula: C15H11ClNO3-
SMILES:   Clc1ccc(cc1)C(=O)c1cccc(CC(=O)[O-])c1N
InChI:   InChI=1/C15H12ClNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)/p-1

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Potential Energy
Epot(MMFF94)=71.9002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.71 g/mol  logS: -4.20418  SlogP: 1.44557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125618  Sterimol/B1: 2.52982  Sterimol/B2: 2.81606  Sterimol/B3: 4.02169
  Sterimol/B4: 7.08674  Sterimol/L: 13.3832 
 
 Surface and Volume Properties
  Accessible surface: 488.227  Positive charged surface: 210.922  Negative charged surface: 277.305  Volume: 254.5
  Hydrophobic surface: 353.399  Hydrophilic surface: 134.828
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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MMs03217117
PUBCHEM-ZINC05161668