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IFLAB-ZINC04105671

 MMsINC code: MMs02016147
Type: Neutral
Formula: C19H15F2N3O2S
SMILES:   S1(=O)Cc2c(nn(-c3ccc(F)cc3)c2NC(=O)Cc2ccc(F)cc2)C1
InChI:   InChI=1/C19H15F2N3O2S/c20-13-3-1-12(2-4-13)9-18(25)22-19-16-10-27(26)11-17(16)23-24(19)15-7-5-14(21)6-8-15/h1-8H,9-11H2,(H,22,25)/t27-/m0/s1

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Potential Energy
Epot(MMFF94)=131.982 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.41 g/mol  logS: -4.981  SlogP: 3.62677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.090044  Sterimol/B1: 2.86457  Sterimol/B2: 3.59816  Sterimol/B3: 4.73279
  Sterimol/B4: 8.69505  Sterimol/L: 15.955 
 
 Surface and Volume Properties
  Accessible surface: 613.426  Positive charged surface: 338.823  Negative charged surface: 274.604  Volume: 328.875
  Hydrophobic surface: 530.797  Hydrophilic surface: 82.629
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.