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PUBCHEM-ZINC03756895

 MMsINC code: MMs03071506
Type: Neutral
Formula: C19H15Cl2NO2
SMILES:   Clc1cc(Cl)cc2c1nc(cc2C(O)=O)-c1ccc(cc1)C(C)C
InChI:   InChI=1/C19H15Cl2NO2/c1-10(2)11-3-5-12(6-4-11)17-9-15(19(23)24)14-7-13(20)8-16(21)18(14)22-17/h3-10H,1-2H3,(H,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.7095 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.24 g/mol  logS: -7.31094  SlogP: 6.0302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0281353  Sterimol/B1: 2.3724  Sterimol/B2: 4.87553  Sterimol/B3: 5.825
  Sterimol/B4: 6.0213  Sterimol/L: 17.4984 
 
 Surface and Volume Properties
  Accessible surface: 583.455  Positive charged surface: 264.725  Negative charged surface: 307.882  Volume: 320.875
  Hydrophobic surface: 437.79  Hydrophilic surface: 145.665
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03071507
PUBCHEM-ZINC03756895