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PUBCHEM-ZINC05276562

 MMsINC code: MMs03230461
Type: Neutral
Formula: C19H30O
SMILES:   OC1CCC2(C3C(C4CCCC4(CC3)C)CCC2=C1)C
InChI:   InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h12,14-17,20H,3-11H2,1-2H3/t14-,15+,16+,17-,18-,19+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.6251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.448 g/mol  logS: -6.84849  SlogP: 4.7002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.247067  Sterimol/B1: 2.12067  Sterimol/B2: 3.92324  Sterimol/B3: 4.21609
  Sterimol/B4: 6.55914  Sterimol/L: 12.8884 
 
 Surface and Volume Properties
  Accessible surface: 478.235  Positive charged surface: 368.784  Negative charged surface: 109.451  Volume: 294.625
  Hydrophobic surface: 396.597  Hydrophilic surface: 81.638
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.