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CHEMSTAR-ZINC01598372

 MMsINC code: MMs01078907
Type: Neutral
Formula: C15H11NO4
SMILES:   O1c2cc(ccc2OC1)\C=N\c1ccccc1C(O)=O
InChI:   InChI=1/C15H11NO4/c17-15(18)11-3-1-2-4-12(11)16-8-10-5-6-13-14(7-10)20-9-19-13/h1-8H,9H2,(H,17,18)/b16-8+

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Potential Energy
Epot(MMFF94)=69.8146 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.256 g/mol  logS: -3.23412  SlogP: 2.8641  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0310262  Sterimol/B1: 2.89043  Sterimol/B2: 2.92234  Sterimol/B3: 3.40207
  Sterimol/B4: 6.28772  Sterimol/L: 15.7069 
 
 Surface and Volume Properties
  Accessible surface: 487.668  Positive charged surface: 301.602  Negative charged surface: 186.066  Volume: 243.625
  Hydrophobic surface: 335.136  Hydrophilic surface: 152.532
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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


MMs01078908
CHEMSTAR-ZINC01598372