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ASINEX-ZINC00192870

 MMsINC code: MMs00089172
Type: Neutral
Formula: C14H8N2O4
SMILES:   O=C1N(C(=O)c2c1cc(cc2)C(O)=O)c1ncccc1
InChI:   InChI=1/C14H8N2O4/c17-12-9-5-4-8(14(19)20)7-10(9)13(18)16(12)11-3-1-2-6-15-11/h1-7H,(H,19,20)

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Potential Energy
Epot(MMFF94)=56.5804 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.228 g/mol  logS: -2.78111  SlogP: 1.5804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000254625  Sterimol/B1: 2.09715  Sterimol/B2: 2.23745  Sterimol/B3: 3.43553
  Sterimol/B4: 4.84692  Sterimol/L: 15.8923 
 
 Surface and Volume Properties
  Accessible surface: 455.418  Positive charged surface: 253.677  Negative charged surface: 201.74  Volume: 231.625
  Hydrophobic surface: 268.918  Hydrophilic surface: 186.5
 
 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


MMs00089173
ASINEX-ZINC00192870