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NCID-ZINC01728294

 MMsINC code: MMs02351702
Type: Neutral
Formula: C11H17NO2
SMILES:   OC(=O)C1(N)C2CC3CC1CC(C2)C3
InChI:   InChI=1/C11H17NO2/c12-11(10(13)14)8-2-6-1-7(4-8)5-9(11)3-6/h6-9H,1-5,12H2,(H,13,14)/t6-,7+,8-,9+,11-

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Potential Energy
Epot(MMFF94)=63.8252 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.262 g/mol  logS: -1.97878  SlogP: 1.2246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.496084  Sterimol/B1: 3.44687  Sterimol/B2: 3.7237  Sterimol/B3: 3.7625
  Sterimol/B4: 4.43567  Sterimol/L: 9.84944 
 
 Surface and Volume Properties
  Accessible surface: 353.672  Positive charged surface: 266.799  Negative charged surface: 86.8732  Volume: 184.875
  Hydrophobic surface: 241.799  Hydrophilic surface: 111.873
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.