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NCID-ZINC04578985

 MMsINC code: MMs02391780
Type: Neutral
Formula: C26H38O4
SMILES:   O(C(=O)c1ccccc1C(OC1CC(CC(C1)C)(C)C)=O)C1CC(CC(C1)C)(C)C
InChI:   InChI=1/C26H38O4/c1-17-11-19(15-25(3,4)13-17)29-23(27)21-9-7-8-10-22(21)24(28)30-20-12-18(2)14-26(5,6)16-20/h7-10,17-20H,11-16H2,1-6H3/t17-,18-,19-,20+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.257 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.586 g/mol  logS: -8.18194  SlogP: 6.4298  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0939448  Sterimol/B1: 2.31741  Sterimol/B2: 3.5322  Sterimol/B3: 4.99866
  Sterimol/B4: 10.2864  Sterimol/L: 17.6108 
 
 Surface and Volume Properties
  Accessible surface: 711.122  Positive charged surface: 490.431  Negative charged surface: 220.691  Volume: 431.625
  Hydrophobic surface: 571.138  Hydrophilic surface: 139.984
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.