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PUBCHEM-ZINC05295879

 MMsINC code: MMs03234559
Type: Neutral
Formula: C26H38O5
SMILES:   O1C2(C(OC1(C)C)CC1C3C(CCC12C)C1(C(CC(O)CC1)=CC3)C)C(=O)\C=C\
OC
InChI:   InChI=1/C26H38O5/c1-23(2)30-22-15-20-18-7-6-16-14-17(27)8-11-24(16,3)19(18)9-12-25(20,4)26(22,31-23)21(28)10-13-29-5/h6,10,13,17-20,22,27H,7-9,11-12,14-15H2,1-5H3/b13-10+/t17-,18-,19-,20-,22+,24+,25+,26-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=292.398 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.585 g/mol  logS: -5.38678  SlogP: 4.5395  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.103207  Sterimol/B1: 3.38711  Sterimol/B2: 3.38911  Sterimol/B3: 4.61287
  Sterimol/B4: 7.3622  Sterimol/L: 17.9905 
 
 Surface and Volume Properties
  Accessible surface: 651.359  Positive charged surface: 480.465  Negative charged surface: 170.894  Volume: 418.375
  Hydrophobic surface: 500.108  Hydrophilic surface: 151.251
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.