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PUBCHEM-ZINC05593187

 MMsINC code: MMs03317143
Type: Neutral
Formula: C10H19NO
SMILES:   O=C(N1CCCCC1)C(CC)C
InChI:   InChI=1/C10H19NO/c1-3-9(2)10(12)11-7-5-4-6-8-11/h9H,3-8H2,1-2H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=17.6255 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -1.33739  SlogP: 2.045  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137143  Sterimol/B1: 2.36728  Sterimol/B2: 2.86596  Sterimol/B3: 3.93331
  Sterimol/B4: 5.53018  Sterimol/L: 10.8293 
 
 Surface and Volume Properties
  Accessible surface: 385.927  Positive charged surface: 291.353  Negative charged surface: 94.5739  Volume: 189.875
  Hydrophobic surface: 316.233  Hydrophilic surface: 69.694
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.