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ASINEX-ZINC00794082

 MMsINC code: MMs00166063
Type: Neutral
Formula: C19H16FN3O3
SMILES:   Fc1cc2c3N(C(=O)C(C(=O)Nc4ncccc4)=C2O)C(CCc3c1)C
InChI:   InChI=1/C19H16FN3O3/c1-10-5-6-11-8-12(20)9-13-16(11)23(10)19(26)15(17(13)24)18(25)22-14-4-2-3-7-21-14/h2-4,7-10,24H,5-6H2,1H3,(H,21,22,25)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=94.5809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.353 g/mol  logS: -3.85025  SlogP: 2.80977  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0517422  Sterimol/B1: 2.32489  Sterimol/B2: 3.44502  Sterimol/B3: 3.74808
  Sterimol/B4: 8.85732  Sterimol/L: 16.2861 
 
 Surface and Volume Properties
  Accessible surface: 564.136  Positive charged surface: 348.045  Negative charged surface: 216.091  Volume: 310.125
  Hydrophobic surface: 433.06  Hydrophilic surface: 131.076
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.