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NCID-ZINC05370995

 MMsINC code: MMs02455833
Type: Neutral
Formula: C16H29NO2
SMILES:   O(CC(C)(C)C)C(=O)NC1CC2C(CC1)CCCC2
InChI:   InChI=1/C16H29NO2/c1-16(2,3)11-19-15(18)17-14-9-8-12-6-4-5-7-13(12)10-14/h12-14H,4-11H2,1-3H3,(H,17,18)/t12-,13+,14+/m0/s1

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Potential Energy
Epot(MMFF94)=27.9487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.413 g/mol  logS: -4.20243  SlogP: 4.1176  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0740197  Sterimol/B1: 2.31338  Sterimol/B2: 3.29625  Sterimol/B3: 4.0651
  Sterimol/B4: 6.09792  Sterimol/L: 16.1735 
 
 Surface and Volume Properties
  Accessible surface: 541.195  Positive charged surface: 415.583  Negative charged surface: 125.612  Volume: 289
  Hydrophobic surface: 435.903  Hydrophilic surface: 105.292
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.