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PUBCHEM-ZINC03742143

 MMsINC code: MMs03067136
Type: Neutral
Formula: C15H12N2O3
SMILES:   O(Cc1ccccc1)C=1c2nc(cn2C=CC=1)C(O)=O
InChI:   InChI=1/C15H12N2O3/c18-15(19)12-9-17-8-4-7-13(14(17)16-12)20-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,18,19)

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Potential Energy
Epot(MMFF94)=68.2786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.272 g/mol  logS: -2.59235  SlogP: 2.8897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0642631  Sterimol/B1: 3.61697  Sterimol/B2: 3.62121  Sterimol/B3: 4.75569
  Sterimol/B4: 6.68979  Sterimol/L: 14.6011 
 
 Surface and Volume Properties
  Accessible surface: 510.657  Positive charged surface: 273.835  Negative charged surface: 236.822  Volume: 249.625
  Hydrophobic surface: 363.061  Hydrophilic surface: 147.596
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs03067137
PUBCHEM-ZINC03742143