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NCID-ZINC05810247

 MMsINC code: MMs02499911
Type: Neutral
Formula: C28H24FNO8
SMILES:   Fc1cc(ccc1)C(=O)NC1C2C(C(c3c1cc1OCOc1c3)c1cc(OC)c(O)c(OC)c1)
C(OC2)=O
InChI:   InChI=1/C28H24FNO8/c1-34-21-7-14(8-22(35-2)26(21)31)23-16-9-19-20(38-12-37-19)10-17(16)25(18-11-36-28(33)24(18)23)30-27(32)13-4-3-5-15(29)6-13/h3-10,18,23-25,31H,11-12H2,1-2H3,(H,30,32)/t18-,23+,24-,25+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=158.105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 521.497 g/mol  logS: -5.50395  SlogP: 3.7785  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178483  Sterimol/B1: 2.38429  Sterimol/B2: 5.79769  Sterimol/B3: 7.0574
  Sterimol/B4: 7.32855  Sterimol/L: 17.5287 
 
 Surface and Volume Properties
  Accessible surface: 730.688  Positive charged surface: 489.591  Negative charged surface: 241.096  Volume: 449.375
  Hydrophobic surface: 539.781  Hydrophilic surface: 190.907
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 7  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: 0
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Ions/Tautomers related molecules: no related molecules available.