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MICROSOURCE-ZINC03978269

 MMsINC code: MMs02188915
Type: Neutral
Formula: C30H50O
SMILES:   OC1CCC2(C(CCC3(C2CC=C2C4CC(CCC4(CCC23C)C)(C)C)C)C1(C)C)C
InChI:   InChI=1/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23-,24-,27+,28-,29+,30+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=231.851 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.729 g/mol  logS: -10.8402  SlogP: 8.1689  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145876  Sterimol/B1: 2.08529  Sterimol/B2: 3.87825  Sterimol/B3: 5.60935
  Sterimol/B4: 6.75216  Sterimol/L: 16.9866 
 
 Surface and Volume Properties
  Accessible surface: 636.506  Positive charged surface: 465.027  Negative charged surface: 171.48  Volume: 462.125
  Hydrophobic surface: 472.595  Hydrophilic surface: 163.911
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 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.