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CHEMBLOCK-ZINC00068804

 MMsINC code: MMs00493529
Type: Neutral
Formula: C18H10N2O4
SMILES:   O=C1N(C(=O)c2c1cc(cc2)C(O)=O)c1c2ncccc2ccc1
InChI:   InChI=1/C18H10N2O4/c21-16-12-7-6-11(18(23)24)9-13(12)17(22)20(16)14-5-1-3-10-4-2-8-19-15(10)14/h1-9H,(H,23,24)

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Potential Energy
Epot(MMFF94)=97.0037 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.288 g/mol  logS: -4.31653  SlogP: 2.7336  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0810116  Sterimol/B1: 2.49697  Sterimol/B2: 3.64167  Sterimol/B3: 4.52585
  Sterimol/B4: 7.35864  Sterimol/L: 16.2267 
 
 Surface and Volume Properties
  Accessible surface: 523.436  Positive charged surface: 280.121  Negative charged surface: 237.779  Volume: 277.25
  Hydrophobic surface: 348.788  Hydrophilic surface: 174.648
 
 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


MMs00493530
CHEMBLOCK-ZINC00068804