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NCID-ZINC01666723

 MMsINC code: MMs02302868
Type: Neutral
Formula: C8H15NO2
SMILES:   O1CCN(CC1)C(=O)CCC
InChI:   InChI=1/C8H15NO2/c1-2-3-8(10)9-4-6-11-7-5-9/h2-7H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.4968 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.213 g/mol  logS: -0.67295  SlogP: 0.6453  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0851194  Sterimol/B1: 2.84373  Sterimol/B2: 3.30511  Sterimol/B3: 3.74665
  Sterimol/B4: 4.0556  Sterimol/L: 11.9316 
 
 Surface and Volume Properties
  Accessible surface: 360.077  Positive charged surface: 296.123  Negative charged surface: 63.9539  Volume: 165.5
  Hydrophobic surface: 293.984  Hydrophilic surface: 66.093
 
 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.