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ENAMINE-ZINC06169464

 MMsINC code: MMs01659286
Type: Neutral
Formula: C10H10N2OS2
SMILES:   s1c2c(nc1SCC(=O)NC)cccc2
InChI:   InChI=1/C10H10N2OS2/c1-11-9(13)6-14-10-12-7-4-2-3-5-8(7)15-10/h2-5H,6H2,1H3,(H,11,13)

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Potential Energy
Epot(MMFF94)=31.2528 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.335 g/mol  logS: -3.8657  SlogP: 2.1344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00730067  Sterimol/B1: 2.37474  Sterimol/B2: 2.37532  Sterimol/B3: 3.86182
  Sterimol/B4: 3.97951  Sterimol/L: 15.6828 
 
 Surface and Volume Properties
  Accessible surface: 448.517  Positive charged surface: 262.867  Negative charged surface: 185.65  Volume: 211.5
  Hydrophobic surface: 317.92  Hydrophilic surface: 130.597
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.