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PUBCHEM-ZINC03873191

 MMsINC code: MMs03081775
Type: Neutral
Formula: C23H24O6
SMILES:   O1c2c(c(O)c(C(C=C)(C)C)c(O)c2CC=C(C)C)C(O)=C2C=C(O)C(=O)C=C1
2
InChI:   InChI=1/C23H24O6/c1-6-23(4,5)18-20(27)12(8-7-11(2)3)22-17(21(18)28)19(26)13-9-14(24)15(25)10-16(13)29-22/h6-7,9-10,24,26-28H,1,8H2,2-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=170.413 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.439 g/mol  logS: -6.58248  SlogP: 4.64007  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0939166  Sterimol/B1: 2.60488  Sterimol/B2: 3.36284  Sterimol/B3: 4.70153
  Sterimol/B4: 9.33891  Sterimol/L: 15.4464 
 
 Surface and Volume Properties
  Accessible surface: 621.652  Positive charged surface: 392.902  Negative charged surface: 223.155  Volume: 370.625
  Hydrophobic surface: 389.505  Hydrophilic surface: 232.147
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.