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CHEMBRIDGE-ZINC01068458

 MMsINC code: MMs00657541
Type: Neutral
Formula: C23H23F3N4O5
SMILES:   FC(F)(F)C=1n2nc(cc2N=C(C=1)c1cc(OC)c(OC)cc1)C(=O)N1CCC2(OCCO
2)CC1
InChI:   InChI=1/C23H23F3N4O5/c1-32-17-4-3-14(11-18(17)33-2)15-12-19(23(24,25)26)30-20(27-15)13-16(28-30)21(31)29-7-5-22(6-8-29)34-9-10-35-22/h3-4,11-13H,5-10H2,1-2H3

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Potential Energy
Epot(MMFF94)=150.09 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 492.454 g/mol  logS: -5.38921  SlogP: 3.8369  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0174257  Sterimol/B1: 3.07736  Sterimol/B2: 3.55584  Sterimol/B3: 4.02017
  Sterimol/B4: 7.14475  Sterimol/L: 22.0701 
 
 Surface and Volume Properties
  Accessible surface: 736.545  Positive charged surface: 486.9  Negative charged surface: 249.645  Volume: 416.25
  Hydrophobic surface: 552.781  Hydrophilic surface: 183.764
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  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: 0
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Ions/Tautomers related molecules: no related molecules available.