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MAYBRIDGE-ZINC03821967

 MMsINC code: MMs02162267
Type: Neutral
Formula: C19H15FN4O3S
SMILES:   S(=O)(C)c1ccccc1N1c2nc[nH]c2C(=O)N(Cc2ccccc2F)C1=O
InChI:   InChI=1/C19H15FN4O3S/c1-28(27)15-9-5-4-8-14(15)24-17-16(21-11-22-17)18(25)23(19(24)26)10-12-6-2-3-7-13(12)20/h2-9,11H,10H2,1H3,(H,21,22)/t28-/m1/s1

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Potential Energy
Epot(MMFF94)=78.1479 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.418 g/mol  logS: -4.97123  SlogP: 3.4667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.182467  Sterimol/B1: 2.46206  Sterimol/B2: 2.85867  Sterimol/B3: 5.42576
  Sterimol/B4: 8.25845  Sterimol/L: 13.7665 
 
 Surface and Volume Properties
  Accessible surface: 551.717  Positive charged surface: 354.069  Negative charged surface: 197.649  Volume: 337.625
  Hydrophobic surface: 424.583  Hydrophilic surface: 127.134
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.