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IBS-ZINC02381186

 MMsINC code: MMs01848039
Type: Neutral
Formula: C15H25NO2
SMILES:   O=C1CC2(CCC1(C)C2(C)C)C(=O)NCCCC
InChI:   InChI=1/C15H25NO2/c1-5-6-9-16-12(18)15-8-7-14(4,11(17)10-15)13(15,2)3/h5-10H2,1-4H3,(H,16,18)/t14-,15+/m1/s1

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Potential Energy
Epot(MMFF94)=60.4159 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.37 g/mol  logS: -2.5433  SlogP: 2.6882  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0979268  Sterimol/B1: 3.47402  Sterimol/B2: 3.63344  Sterimol/B3: 3.92304
  Sterimol/B4: 4.28388  Sterimol/L: 15.6702 
 
 Surface and Volume Properties
  Accessible surface: 495.185  Positive charged surface: 344.364  Negative charged surface: 150.821  Volume: 267.875
  Hydrophobic surface: 364.354  Hydrophilic surface: 130.831
 
 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.