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NCID-ZINC01722985

 MMsINC code: MMs02347320
Type: Neutral
Formula: C14H23NO2
SMILES:   OC1C2(CCCCC2)C(=O)NC12CCCCC2
InChI:   InChI=1/C14H23NO2/c16-11-13(7-3-1-4-8-13)12(17)15-14(11)9-5-2-6-10-14/h11,16H,1-10H2,(H,15,17)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=56.1357 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.343 g/mol  logS: -2.90963  SlogP: 2.1305  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14667  Sterimol/B1: 3.45549  Sterimol/B2: 3.49912  Sterimol/B3: 3.95461
  Sterimol/B4: 4.58465  Sterimol/L: 12.6194 
 
 Surface and Volume Properties
  Accessible surface: 425.396  Positive charged surface: 327.315  Negative charged surface: 98.0805  Volume: 239
  Hydrophobic surface: 356.719  Hydrophilic surface: 68.677
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.