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CHEMSTAR-ZINC00672621

 MMsINC code: MMs01076168
Type: Neutral
Formula: C26H26F3NO5
SMILES:   FC(F)(F)c1ccc(cc1)C1C(=CN(C=C1C(OCC)=O)c1ccc(OCC)cc1)C(OCC)=
O
InChI:   InChI=1/C26H26F3NO5/c1-4-33-20-13-11-19(12-14-20)30-15-21(24(31)34-5-2)23(22(16-30)25(32)35-6-3)17-7-9-18(10-8-17)26(27,28)29/h7-16,23H,4-6H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.884 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 489.49 g/mol  logS: -6.63428  SlogP: 5.9134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.182044  Sterimol/B1: 4.68115  Sterimol/B2: 6.04622  Sterimol/B3: 6.21584
  Sterimol/B4: 6.25762  Sterimol/L: 18.0885 
 
 Surface and Volume Properties
  Accessible surface: 770.913  Positive charged surface: 435.297  Negative charged surface: 335.616  Volume: 442
  Hydrophobic surface: 527.045  Hydrophilic surface: 243.868
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.