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PUBCHEM-ZINC01447211

MMsINC code: MMs02806544

Type: Neutral
Formula: C19H14N2OS2
SMILES:   S1\C(=C/c2c3c(n(c2)C)cccc3)\C(=S)N(c2ccccc2)C1=O
InChI:   InChI=1/C19H14N2OS2/c1-20-12-13(15-9-5-6-10-16(15)20)11-17-18(23)21(19(22)24-17)14-7-3-2-4-8-14/h2-12H,1H3/b17-11-

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=107.536 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.466 g/mol  logS: -6.24572  SlogP: 5.5792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.034509  Sterimol/B1: 2.22758  Sterimol/B2: 3.55175  Sterimol/B3: 3.56547
  Sterimol/B4: 7.73189  Sterimol/L: 17.7579 
 
 Surface and Volume Properties
  Accessible surface: 570.255  Positive charged surface: 277.659  Negative charged surface: 287.421  Volume: 321.375
  Hydrophobic surface: 431.755  Hydrophilic surface: 138.5
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.