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ASINEX-ZINC03434773

 MMsINC code: MMs00288748
Type: Ionized
Formula: C7H9N2O4-
SMILES:   O=C1N(CCCC(=O)[O-])C(=O)NC1
InChI:   InChI=1/C7H10N2O4/c10-5-4-8-7(13)9(5)3-1-2-6(11)12/h1-4H2,(H,8,13)(H,11,12)/p-1

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Potential Energy
Epot(MMFF94)=-15.0597 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.159 g/mol  logS: -0.37447  SlogP: -1.9317  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11136  Sterimol/B1: 3.39361  Sterimol/B2: 3.40422  Sterimol/B3: 3.43171
  Sterimol/B4: 4.67482  Sterimol/L: 12.2712 
 
 Surface and Volume Properties
  Accessible surface: 364.418  Positive charged surface: 221.096  Negative charged surface: 143.321  Volume: 158.5
  Hydrophobic surface: 133.848  Hydrophilic surface: 230.57
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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:


MMs00288747
ASINEX-ZINC03434773