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NCID-ZINC01602994

 MMsINC code: MMs02255741
Type: Neutral
Formula: C10H12N2O3S
SMILES:   S(=O)(=O)(N)c1ccc(NC(=O)C(C)=C)cc1
InChI:   InChI=1/C10H12N2O3S/c1-7(2)10(13)12-8-3-5-9(6-4-8)16(11,14)15/h3-6H,1H2,2H3,(H,12,13)(H2,11,14,15)

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Potential Energy
Epot(MMFF94)=23.273 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.283 g/mol  logS: -2.32676  SlogP: 0.8486  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0376754  Sterimol/B1: 2.68811  Sterimol/B2: 2.75044  Sterimol/B3: 3.61968
  Sterimol/B4: 4.7865  Sterimol/L: 14.4638 
 
 Surface and Volume Properties
  Accessible surface: 437.989  Positive charged surface: 226.472  Negative charged surface: 211.517  Volume: 208.875
  Hydrophobic surface: 234.615  Hydrophilic surface: 203.374
 
 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


MMs02255742
NCID-ZINC01602994