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SIAL-ZINC04795391

 MMsINC code: MMs03925661
Type: Neutral
Formula: C20H34O
SMILES:   O=C1CC2CCC(CC2)CCCCC2CCC(CC1)CC2
InChI:   InChI=1/C20H34O/c21-20-14-13-18-7-5-16(6-8-18)3-1-2-4-17-9-11-19(15-20)12-10-17/h16-19H,1-15H2/t16-,17-,18-,19-

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Potential Energy
Epot(MMFF94)=114.29 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.491 g/mol  logS: -7.76233  SlogP: 5.9126  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.245778  Sterimol/B1: 2.81389  Sterimol/B2: 2.88223  Sterimol/B3: 4.45625
  Sterimol/B4: 8.22928  Sterimol/L: 11.1402 
 
 Surface and Volume Properties
  Accessible surface: 482.619  Positive charged surface: 384.113  Negative charged surface: 98.5057  Volume: 318.875
  Hydrophobic surface: 462.768  Hydrophilic surface: 19.851
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.