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NCID-ZINC02026346

MMsINC code: MMs02378195

Type: Neutral
Formula: C29H24O5
SMILES:   O1c2c(Cc3c1cccc3)c(O)c(C(=O)CCc1ccccc1)c(O)c2Cc1ccccc1O
InChI:   InChI=1/C29H24O5/c30-23-12-6-4-10-19(23)16-21-27(32)26(24(31)15-14-18-8-2-1-3-9-18)28(33)22-17-20-11-5-7-13-25(20)34-29(21)22/h1-13,30,32-33H,14-17H2

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=137.613 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 452.506 g/mol  logS: -6.47004  SlogP: 5.90611  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0729741  Sterimol/B1: 3.28359  Sterimol/B2: 4.40593  Sterimol/B3: 5.1424
  Sterimol/B4: 7.08123  Sterimol/L: 19.1576 
 
 Surface and Volume Properties
  Accessible surface: 731.231  Positive charged surface: 448.307  Negative charged surface: 282.923  Volume: 432.125
  Hydrophobic surface: 626.652  Hydrophilic surface: 104.579
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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: 0

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Ions/Tautomers related molecules: no related molecules available.