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NCID-ZINC05601487

 MMsINC code: MMs02479391
Type: Neutral
Formula: C15H26O
SMILES:   O1C(C2CCC1(CC2)C)(CCC=C(C)C)C
InChI:   InChI=1/C15H26O/c1-12(2)6-5-9-15(4)13-7-10-14(3,16-15)11-8-13/h6,13H,5,7-11H2,1-4H3/t13-,14+,15-/m0/s1

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Potential Energy
Epot(MMFF94)=65.9564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.372 g/mol  logS: -3.43631  SlogP: 4.4706  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157701  Sterimol/B1: 3.0388  Sterimol/B2: 3.45193  Sterimol/B3: 4.81884
  Sterimol/B4: 4.8758  Sterimol/L: 13.5821 
 
 Surface and Volume Properties
  Accessible surface: 471.585  Positive charged surface: 344.193  Negative charged surface: 127.392  Volume: 255.125
  Hydrophobic surface: 423.467  Hydrophilic surface: 48.118
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.