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ENAMINE-ZINC03438260

 MMsINC code: MMs01442262
Type: Neutral
Formula: C27H23FN2O4
SMILES:   Fc1cc(c2OC(OCc2c1)c1ccccc1)COC(=O)c1c(n(nc1C)-c1ccccc1)C
InChI:   InChI=1/C27H23FN2O4/c1-17-24(18(2)30(29-17)23-11-7-4-8-12-23)26(31)32-15-20-13-22(28)14-21-16-33-27(34-25(20)21)19-9-5-3-6-10-19/h3-14,27H,15-16H2,1-2H3/t27-/m0/s1

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Potential Energy
Epot(MMFF94)=115.258 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 458.489 g/mol  logS: -6.57423  SlogP: 6.22134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0715509  Sterimol/B1: 2.28946  Sterimol/B2: 6.08825  Sterimol/B3: 6.17101
  Sterimol/B4: 7.23818  Sterimol/L: 21.2967 
 
 Surface and Volume Properties
  Accessible surface: 762.117  Positive charged surface: 418.48  Negative charged surface: 343.638  Volume: 428.75
  Hydrophobic surface: 694.109  Hydrophilic surface: 68.008
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.