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ACROSORGANICS-ZINC01841157

 MMsINC code: MMs00011975
Type: Neutral
Formula: C5H9NO2
SMILES:   O=[N+]([O-])C1CCCC1
InChI:   InChI=1/C5H9NO2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.5775 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 115.132 g/mol  logS: -1.30717  SlogP: 1.2057  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.275384  Sterimol/B1: 2.87279  Sterimol/B2: 2.92384  Sterimol/B3: 3.26098
  Sterimol/B4: 4.18712  Sterimol/L: 8.57768 
 
 Surface and Volume Properties
  Accessible surface: 282.412  Positive charged surface: 163.482  Negative charged surface: 118.929  Volume: 110
  Hydrophobic surface: 201.813  Hydrophilic surface: 80.599
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.