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CHEMDIV-ZINC04935437

 MMsINC code: MMs00970641
Type: Neutral
Formula: C24H31FN4O2
SMILES:   Fc1ccc(cc1)-c1c2n(nc1C)C(C)=C(CCC(=O)NCCCOC(C)C)C(=N2)C
InChI:   InChI=1/C24H31FN4O2/c1-15(2)31-14-6-13-26-22(30)12-11-21-16(3)27-24-23(17(4)28-29(24)18(21)5)19-7-9-20(25)10-8-19/h7-10,15H,6,11-14H2,1-5H3,(H,26,30)

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Potential Energy
Epot(MMFF94)=90.3859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.536 g/mol  logS: -5.19634  SlogP: 5.04612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0424853  Sterimol/B1: 2.27929  Sterimol/B2: 2.98808  Sterimol/B3: 6.06599
  Sterimol/B4: 6.95289  Sterimol/L: 23.5167 
 
 Surface and Volume Properties
  Accessible surface: 791.046  Positive charged surface: 513.386  Negative charged surface: 277.661  Volume: 429.125
  Hydrophobic surface: 671.453  Hydrophilic surface: 119.593
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.