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ACROSORGANICS-ZINC01715186

 MMsINC code: MMs00011575
Type: Neutral
Formula: C5H9NO4
SMILES:   O(C(=O)CCC[N+](=O)[O-])C
InChI:   InChI=1/C5H9NO4/c1-10-5(7)3-2-4-6(8)9/h2-4H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.9192 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 147.13 g/mol  logS: -0.84311  SlogP: 0.2163  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0522498  Sterimol/B1: 2.5281  Sterimol/B2: 2.56516  Sterimol/B3: 3.05374
  Sterimol/B4: 3.21168  Sterimol/L: 12.3922 
 
 Surface and Volume Properties
  Accessible surface: 335.943  Positive charged surface: 212.322  Negative charged surface: 123.621  Volume: 128.875
  Hydrophobic surface: 205.076  Hydrophilic surface: 130.867
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.