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NCID-ZINC05707026

 MMsINC code: MMs02487863
Type: Neutral
Formula: C25H26O5
SMILES:   O(C\C=C(\CCC=C(C)C)/C)c1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)
C
InChI:   InChI=1/C25H26O5/c1-14(2)6-5-7-15(3)8-9-30-17-12-19-23(21(27)13-17)25(29)22-18(24(19)28)10-16(4)11-20(22)26/h6,8,10-13,26-27H,5,7,9H2,1-4H3/b15-8+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.478 g/mol  logS: -6.69629  SlogP: 5.25312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0245306  Sterimol/B1: 2.14892  Sterimol/B2: 3.36133  Sterimol/B3: 4.1414
  Sterimol/B4: 7.59999  Sterimol/L: 22.8841 
 
 Surface and Volume Properties
  Accessible surface: 731.739  Positive charged surface: 465.399  Negative charged surface: 266.34  Volume: 399.875
  Hydrophobic surface: 548.963  Hydrophilic surface: 182.776
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 1
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Ions/Tautomers related molecules: no related molecules available.