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ASINEX-ZINC00192870

 MMsINC code: MMs00089173
Type: Ionized
Formula: C14H7N2O4-
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)/p-1

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Potential Energy
Epot(MMFF94)=46.8141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.22 g/mol  logS: -3.04156  SlogP: 0.2457  Reactive groups: 0
 
 Topological Properties
  Globularity: 9.36536e-09  Sterimol/B1: 2.09748  Sterimol/B2: 2.09781  Sterimol/B3: 3.43153
  Sterimol/B4: 4.87822  Sterimol/L: 15.5252 
 
 Surface and Volume Properties
  Accessible surface: 449.094  Positive charged surface: 219.922  Negative charged surface: 229.173  Volume: 229.375
  Hydrophobic surface: 265.964  Hydrophilic surface: 183.13
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 2  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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Parent related molecule:


MMs00089172
ASINEX-ZINC00192870