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PUBCHEM-ZINC06491670

 MMsINC code: MMs03765288
Type: Neutral
Formula: C30H50O
SMILES:   OC1CCC2(C(CCC3(C2CCC=2C3(CCC=2C(CCC=C(C)C)C)C)C)C1(C)C)C
InChI:   InChI=1/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-29(7)23(22)12-13-25-28(6)17-16-26(31)27(4,5)24(28)15-19-30(25,29)8/h10,21,24-26,31H,9,11-19H2,1-8H3/t21-,24+,25-,26+,28+,29-,30-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=177.551 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.729 g/mol  logS: -10.0352  SlogP: 8.4791  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115923  Sterimol/B1: 3.00159  Sterimol/B2: 3.07105  Sterimol/B3: 5.2762
  Sterimol/B4: 7.80698  Sterimol/L: 18.149 
 
 Surface and Volume Properties
  Accessible surface: 710.68  Positive charged surface: 507.599  Negative charged surface: 203.08  Volume: 476.25
  Hydrophobic surface: 568.031  Hydrophilic surface: 142.649
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 7
 
 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.