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ASINEX-ZINC01188931

 MMsINC code: MMs00230480
Type: Neutral
Formula: C24H19FN4O2
SMILES:   Fc1ccccc1C(=O)Nc1n(ncc1C(=O)Nc1cc(ccc1)C)-c1ccccc1
InChI:   InChI=1/C24H19FN4O2/c1-16-8-7-9-17(14-16)27-24(31)20-15-26-29(18-10-3-2-4-11-18)22(20)28-23(30)19-12-5-6-13-21(19)25/h2-15H,1H3,(H,27,31)(H,28,30)

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Potential Energy
Epot(MMFF94)=143.819 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.44 g/mol  logS: -6.55893  SlogP: 4.82442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0575414  Sterimol/B1: 2.83267  Sterimol/B2: 4.48465  Sterimol/B3: 5.04657
  Sterimol/B4: 7.67842  Sterimol/L: 18.0277 
 
 Surface and Volume Properties
  Accessible surface: 683.014  Positive charged surface: 379.612  Negative charged surface: 303.402  Volume: 384.625
  Hydrophobic surface: 618.599  Hydrophilic surface: 64.415
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 1
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Ions/Tautomers related molecules: no related molecules available.