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PUBCHEM-ZINC06575199

 MMsINC code: MMs03804848
Type: Neutral
Formula: C19H15ClN2O4
SMILES:   Clc1cc2c([nH]cc2C(=O)C(=O)NC(Cc2ccccc2)C(O)=O)cc1
InChI:   InChI=1/C19H15ClN2O4/c20-12-6-7-15-13(9-12)14(10-21-15)17(23)18(24)22-16(19(25)26)8-11-4-2-1-3-5-11/h1-7,9-10,16,21H,8H2,(H,22,24)(H,25,26)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.0521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.792 g/mol  logS: -4.71176  SlogP: 2.81607  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107879  Sterimol/B1: 2.48009  Sterimol/B2: 3.06901  Sterimol/B3: 5.41381
  Sterimol/B4: 9.12799  Sterimol/L: 15.3853 
 
 Surface and Volume Properties
  Accessible surface: 604.266  Positive charged surface: 281.268  Negative charged surface: 317.795  Volume: 325
  Hydrophobic surface: 418.831  Hydrophilic surface: 185.435
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03804849
PUBCHEM-ZINC06575199