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NCID-ZINC04363405

 MMsINC code: MMs02384045
Type: Neutral
Formula: C26H38O4
SMILES:   O=C1CCC2(C3C(C4CCC(C(=O)COC(=O)C(C)(C)C)C4(CC3)C)CCC2=C1)C
InChI:   InChI=1/C26H38O4/c1-24(2,3)23(29)30-15-22(28)21-9-8-19-18-7-6-16-14-17(27)10-12-25(16,4)20(18)11-13-26(19,21)5/h14,18-21H,6-13,15H2,1-5H3/t18-,19+,20-,21-,25-,26-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.474 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.586 g/mol  logS: -7.02908  SlogP: 5.2929  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0781887  Sterimol/B1: 1.97616  Sterimol/B2: 3.97376  Sterimol/B3: 5.83091
  Sterimol/B4: 6.40567  Sterimol/L: 18.6984 
 
 Surface and Volume Properties
  Accessible surface: 675.285  Positive charged surface: 454.823  Negative charged surface: 220.462  Volume: 422.625
  Hydrophobic surface: 496.693  Hydrophilic surface: 178.592
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.