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PUBCHEM-ZINC05735787

 MMsINC code: MMs03365707
Type: Neutral
Formula: C7H15NO2
SMILES:   O1CN(CC1C)CC(O)C
InChI:   InChI=1/C7H15NO2/c1-6(9)3-8-4-7(2)10-5-8/h6-7,9H,3-5H2,1-2H3/t6-,7-/m1/s1

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Potential Energy
Epot(MMFF94)=29.4687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.202 g/mol  logS: 0.06271  SlogP: 0.0454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111465  Sterimol/B1: 2.72676  Sterimol/B2: 2.95553  Sterimol/B3: 3.76047
  Sterimol/B4: 3.83733  Sterimol/L: 11.8981 
 
 Surface and Volume Properties
  Accessible surface: 353.645  Positive charged surface: 276.356  Negative charged surface: 77.2891  Volume: 153.75
  Hydrophobic surface: 235.709  Hydrophilic surface: 117.936
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.