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PUBCHEM-ZINC07011506

 MMsINC code: MMs03910625
Type: Neutral
Formula: C16H25NO2
SMILES:   O=C1C(C2CC1(CC2)C(=O)NC1CCCCC1)(C)C
InChI:   InChI=1/C16H25NO2/c1-15(2)11-8-9-16(10-11,13(15)18)14(19)17-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H,17,19)/t11-,16-/m0/s1

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Potential Energy
Epot(MMFF94)=55.67 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.381 g/mol  logS: -2.77487  SlogP: 2.8307  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0980761  Sterimol/B1: 2.28128  Sterimol/B2: 3.06718  Sterimol/B3: 4.99778
  Sterimol/B4: 5.08501  Sterimol/L: 14.5528 
 
 Surface and Volume Properties
  Accessible surface: 495.143  Positive charged surface: 357.748  Negative charged surface: 137.395  Volume: 274
  Hydrophobic surface: 405.941  Hydrophilic surface: 89.202
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.