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ASINEX-ZINC01690596

 MMsINC code: MMs00255766
Type: Neutral
Formula: C6H11NO2
SMILES:   OC(=O)CN1CCCC1
InChI:   InChI=1/C6H11NO2/c8-6(9)5-7-3-1-2-4-7/h1-5H2,(H,8,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.9548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 129.159 g/mol  logS: -0.03665  SlogP: 0.1668  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111969  Sterimol/B1: 2.28643  Sterimol/B2: 2.79267  Sterimol/B3: 2.84295
  Sterimol/B4: 4.5714  Sterimol/L: 10.2622 
 
 Surface and Volume Properties
  Accessible surface: 307.276  Positive charged surface: 237.745  Negative charged surface: 69.5308  Volume: 126.75
  Hydrophobic surface: 208.943  Hydrophilic surface: 98.333
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.