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NCID-ZINC01589958

 MMsINC code: MMs02245058
Type: Neutral
Formula: C14H26O
SMILES:   O=C(C)C1CCC(CC1)CCCC(C)C
InChI:   InChI=1/C14H26O/c1-11(2)5-4-6-13-7-9-14(10-8-13)12(3)15/h11,13-14H,4-10H2,1-3H3/t13-,14+

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Potential Energy
Epot(MMFF94)=37.9885 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.361 g/mol  logS: -4.87509  SlogP: 4.2081  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.099415  Sterimol/B1: 2.83906  Sterimol/B2: 2.96469  Sterimol/B3: 4.28133
  Sterimol/B4: 4.90845  Sterimol/L: 14.7027 
 
 Surface and Volume Properties
  Accessible surface: 474.014  Positive charged surface: 355.131  Negative charged surface: 118.884  Volume: 246.375
  Hydrophobic surface: 408.42  Hydrophilic surface: 65.594
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.