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PUBCHEM-ZINC07010353

 MMsINC code: MMs03910054
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-/m1/s1

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Potential Energy
Epot(MMFF94)=55.7193 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: 0.102951  Sterimol/B1: 2.30214  Sterimol/B2: 4.00402  Sterimol/B3: 4.11527
  Sterimol/B4: 5.65948  Sterimol/L: 14.3554 
 
 Surface and Volume Properties
  Accessible surface: 496.817  Positive charged surface: 359.015  Negative charged surface: 137.802  Volume: 273.375
  Hydrophobic surface: 411.584  Hydrophilic surface: 85.233
 
 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.