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NANOSIN-ZINC01948265

 MMsINC code: MMs02200344
Type: Neutral
Formula: C19H18FN3O2
SMILES:   Fc1cc\2c(NC(=O)/C/2=N/NC(=O)c2ccc(cc2)C(C)(C)C)cc1
InChI:   InChI=1/C19H18FN3O2/c1-19(2,3)12-6-4-11(5-7-12)17(24)23-22-16-14-10-13(20)8-9-15(14)21-18(16)25/h4-10H,1-3H3,(H,23,24)(H,21,22,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.3 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.37 g/mol  logS: -6.50244  SlogP: 3.2094  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0262945  Sterimol/B1: 2.42807  Sterimol/B2: 4.77895  Sterimol/B3: 5.08875
  Sterimol/B4: 5.20101  Sterimol/L: 16.3568 
 
 Surface and Volume Properties
  Accessible surface: 577.712  Positive charged surface: 307.023  Negative charged surface: 270.689  Volume: 316.5
  Hydrophobic surface: 372.306  Hydrophilic surface: 205.406
 
 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.