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PUBCHEM-ZINC05854155

 MMsINC code: MMs03418618
Type: Neutral
Formula: C30H52O
SMILES:   OCCCC1C2(C(CCC1=C(C)C)C1(CCC(CC1(CC2)C)(CCC=C(C)C)C)C)C
InChI:   InChI=1/C30H52O/c1-22(2)11-9-15-27(5)16-19-30(8)26-14-13-24(23(3)4)25(12-10-20-31)29(26,7)18-17-28(30,6)21-27/h11,25-26,31H,9-10,12-21H2,1-8H3/t25-,26+,27-,28+,29+,30-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=317.285 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 428.745 g/mol  logS: -11.5791  SlogP: 8.8708  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108352  Sterimol/B1: 4.26161  Sterimol/B2: 4.45744  Sterimol/B3: 4.5211
  Sterimol/B4: 4.61745  Sterimol/L: 20.2396 
 
 Surface and Volume Properties
  Accessible surface: 715.407  Positive charged surface: 519.372  Negative charged surface: 196.035  Volume: 480.25
  Hydrophobic surface: 595.443  Hydrophilic surface: 119.964
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.