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ASINEX-ZINC01360231

 MMsINC code: MMs00246043
Type: Neutral
Formula: C23H24FN3O2
SMILES:   Fc1ccc(cc1)C(=O)N1CC(CCC1)c1onc(n1)-c1ccc(cc1)C(C)C
InChI:   InChI=1/C23H24FN3O2/c1-15(2)16-5-7-17(8-6-16)21-25-22(29-26-21)19-4-3-13-27(14-19)23(28)18-9-11-20(24)12-10-18/h5-12,15,19H,3-4,13-14H2,1-2H3/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=104.301 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.462 g/mol  logS: -7.27952  SlogP: 5.0189  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0336971  Sterimol/B1: 2.25207  Sterimol/B2: 4.47188  Sterimol/B3: 4.68433
  Sterimol/B4: 4.9747  Sterimol/L: 21.7387 
 
 Surface and Volume Properties
  Accessible surface: 677.283  Positive charged surface: 406.954  Negative charged surface: 270.328  Volume: 376.375
  Hydrophobic surface: 560.839  Hydrophilic surface: 116.444
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1
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Ions/Tautomers related molecules: no related molecules available.