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NCID-ZINC05837079

 MMsINC code: MMs02504823
Type: Neutral
Formula: C33H46O2
SMILES:   O(C)c1c2c(cccc2)c(OC)c(C)c1C\C=C(\CC\C=C(\CC\C=C(\CCC=C(C)C)
/C)/C)/C
InChI:   InChI=1/C33H46O2/c1-24(2)14-11-15-25(3)16-12-17-26(4)18-13-19-27(5)22-23-29-28(6)32(34-7)30-20-9-10-21-31(30)33(29)35-8/h9-10,14,16,18,20-22H,11-13,15,17,19,23H2,1-8H3/b25-16+,26-18+,27-22+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=161.961 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 474.729 g/mol  logS: -10.9045  SlogP: 9.85359  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.070806  Sterimol/B1: 2.97972  Sterimol/B2: 3.60351  Sterimol/B3: 7.07628
  Sterimol/B4: 7.9382  Sterimol/L: 23.9507 
 
 Surface and Volume Properties
  Accessible surface: 888.393  Positive charged surface: 612.85  Negative charged surface: 265.645  Volume: 535.375
  Hydrophobic surface: 833.788  Hydrophilic surface: 54.605
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.