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PUBCHEM-ZINC05161668

 MMsINC code: MMs03217117
Type: Neutral
Formula: C15H12ClNO3
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)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.183 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.718 g/mol  logS: -3.94373  SlogP: 2.78027  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138439  Sterimol/B1: 2.19606  Sterimol/B2: 2.26935  Sterimol/B3: 4.7014
  Sterimol/B4: 7.37761  Sterimol/L: 13.0864 
 
 Surface and Volume Properties
  Accessible surface: 492.917  Positive charged surface: 240.264  Negative charged surface: 252.653  Volume: 254.375
  Hydrophobic surface: 343.439  Hydrophilic surface: 149.478
 
 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


MMs03217118
PUBCHEM-ZINC05161668