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PUBCHEM-ZINC05923664

 MMsINC code: MMs03445220
Type: Neutral
Formula: C20H36O
SMILES:   OC(CC\C=C(/CC\C=C(/CCC=C(C)C)\C)\C)(CC)C
InChI:   InChI=1/C20H36O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h11,13,15,21H,7-10,12,14,16H2,1-6H3/b18-13-,19-15-/t20-/m0/s1

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Potential Energy
Epot(MMFF94)=76.1484 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.507 g/mol  logS: -5.81953  SlogP: 6.3468  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.240038  Sterimol/B1: 2.29646  Sterimol/B2: 3.94822  Sterimol/B3: 5.78827
  Sterimol/B4: 9.59563  Sterimol/L: 14.1638 
 
 Surface and Volume Properties
  Accessible surface: 624.77  Positive charged surface: 443.253  Negative charged surface: 181.517  Volume: 356.625
  Hydrophobic surface: 531.304  Hydrophilic surface: 93.466
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.