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ACROSORGANICS-ZINC03861141

 MMsINC code: MMs00015753
Type: Neutral
Formula: C6H11NO
SMILES:   O=C1N(CCC1)CC
InChI:   InChI=1/C6H11NO/c1-2-7-5-3-4-6(7)8/h2-5H2,1H3

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Potential Energy
Epot(MMFF94)=1.81378 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 113.16 g/mol  logS: -0.21686  SlogP: 0.6287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.188864  Sterimol/B1: 2.31133  Sterimol/B2: 3.33516  Sterimol/B3: 3.4684
  Sterimol/B4: 4.12424  Sterimol/L: 9.25653 
 
 Surface and Volume Properties
  Accessible surface: 301.421  Positive charged surface: 224.742  Negative charged surface: 76.679  Volume: 122.625
  Hydrophobic surface: 236.802  Hydrophilic surface: 64.619
 
 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.