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PUBCHEM-ZINC05766609

 MMsINC code: MMs03379677
Type: Neutral
Formula: C26H38O5
SMILES:   O1CCOC12CC=1C(C3C(C4CCC(OC(=O)C)(C(=O)C)C4(CC3)C)CC=1C)(CC2)
C
InChI:   InChI=1/C26H38O5/c1-16-14-19-20(23(4)10-11-25(15-22(16)23)29-12-13-30-25)6-8-24(5)21(19)7-9-26(24,17(2)27)31-18(3)28/h19-21H,6-15H2,1-5H3/t19-,20+,21+,23-,24+,26-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=165.22 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.585 g/mol  logS: -5.59653  SlogP: 4.9733  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0956648  Sterimol/B1: 2.38462  Sterimol/B2: 3.58164  Sterimol/B3: 4.75172
  Sterimol/B4: 7.15215  Sterimol/L: 18.9309 
 
 Surface and Volume Properties
  Accessible surface: 646.696  Positive charged surface: 463.199  Negative charged surface: 183.497  Volume: 427
  Hydrophobic surface: 559.225  Hydrophilic surface: 87.471
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.