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NCID-ZINC01706472

 MMsINC code: MMs02334963
Type: Neutral
Formula: C6H11NO2
SMILES:   O(C(=O)CN1CC1)CC
InChI:   InChI=1/C6H11NO2/c1-2-9-6(8)5-7-3-4-7/h2-5H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.3475 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 129.159 g/mol  logS: -0.37265  SlogP: -0.1349  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0649885  Sterimol/B1: 2.6428  Sterimol/B2: 2.82913  Sterimol/B3: 3.07743
  Sterimol/B4: 3.40576  Sterimol/L: 11.9095 
 
 Surface and Volume Properties
  Accessible surface: 338.127  Positive charged surface: 230.537  Negative charged surface: 107.59  Volume: 134.875
  Hydrophobic surface: 264.476  Hydrophilic surface: 73.651
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.