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PUBCHEM-ZINC06261897

 MMsINC code: MMs03645136
Type: Neutral
Formula: C17H32N2O2
SMILES:   O1CCN(CC1)C(=O)NC1CCCCCCCCCCC1
InChI:   InChI=1/C17H32N2O2/c20-17(19-12-14-21-15-13-19)18-16-10-8-6-4-2-1-3-5-7-9-11-16/h16H,1-15H2,(H,18,20)

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Potential Energy
Epot(MMFF94)=118.388 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.455 g/mol  logS: -4.35228  SlogP: 3.7015  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.390777  Sterimol/B1: 2.82278  Sterimol/B2: 3.59091  Sterimol/B3: 6.05881
  Sterimol/B4: 7.09366  Sterimol/L: 12.6214 
 
 Surface and Volume Properties
  Accessible surface: 512.975  Positive charged surface: 413.032  Negative charged surface: 99.9434  Volume: 316.625
  Hydrophobic surface: 473.24  Hydrophilic surface: 39.735
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.