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ASINEX-ZINC04964560

 MMsINC code: MMs00413948
Type: Neutral
Formula: C23H20F2N4O
SMILES:   Fc1cc(ccc1F)C(=O)N1CCCN(CC1)c1nc2cc(ccc2cc1C#N)C
InChI:   InChI=1/C23H20F2N4O/c1-15-3-4-16-12-18(14-26)22(27-21(16)11-15)28-7-2-8-29(10-9-28)23(30)17-5-6-19(24)20(25)13-17/h3-6,11-13H,2,7-10H2,1H3

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Potential Energy
Epot(MMFF94)=142.044 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.436 g/mol  logS: -5.81199  SlogP: 4.0456  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0665218  Sterimol/B1: 2.34473  Sterimol/B2: 3.92867  Sterimol/B3: 4.33397
  Sterimol/B4: 10.0578  Sterimol/L: 17.1806 
 
 Surface and Volume Properties
  Accessible surface: 644.586  Positive charged surface: 364.285  Negative charged surface: 275.599  Volume: 371.125
  Hydrophobic surface: 537.385  Hydrophilic surface: 107.201
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.