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ENAMINE-ZINC03453456

 MMsINC code: MMs01452239
Type: Neutral
Formula: C16H27NO2
SMILES:   OC12CC3(CC(C1)CC(C3)C2)C(=O)NCCC(C)C
InChI:   InChI=1/C16H27NO2/c1-11(2)3-4-17-14(18)15-6-12-5-13(7-15)9-16(19,8-12)10-15/h11-13,19H,3-10H2,1-2H3,(H,17,18)/t12-,13+,15+,16-

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Potential Energy
Epot(MMFF94)=44.7007 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.397 g/mol  logS: -2.87428  SlogP: 2.48  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0884167  Sterimol/B1: 2.97858  Sterimol/B2: 3.53997  Sterimol/B3: 4.19918
  Sterimol/B4: 4.8945  Sterimol/L: 15.3611 
 
 Surface and Volume Properties
  Accessible surface: 504.473  Positive charged surface: 389.919  Negative charged surface: 114.554  Volume: 278.125
  Hydrophobic surface: 393.05  Hydrophilic surface: 111.423
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.