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ASINEX-ZINC00900502

 MMsINC code: MMs00212458
Type: Neutral
Formula: C23H24F2N4O
SMILES:   FC(F)C1n2ncc(c2NC(C1)c1ccc(cc1)C)C(=O)NCc1ccc(cc1)C
InChI:   InChI=1/C23H24F2N4O/c1-14-3-7-16(8-4-14)12-26-23(30)18-13-27-29-20(21(24)25)11-19(28-22(18)29)17-9-5-15(2)6-10-17/h3-10,13,19-21,28H,11-12H2,1-2H3,(H,26,30)/t19-,20-/m0/s1

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Potential Energy
Epot(MMFF94)=122.284 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.468 g/mol  logS: -5.33114  SlogP: 5.67034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0414216  Sterimol/B1: 3.51585  Sterimol/B2: 3.72069  Sterimol/B3: 5.33407
  Sterimol/B4: 6.74831  Sterimol/L: 20.5701 
 
 Surface and Volume Properties
  Accessible surface: 705.341  Positive charged surface: 406.598  Negative charged surface: 298.743  Volume: 387.625
  Hydrophobic surface: 567.092  Hydrophilic surface: 138.249
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.