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NCID-ZINC01729551

MMsINC code: MMs02352664

Type: Neutral
Formula: C10H12N2O2S
SMILES:   S(CC(=O)N(C)c1ccccc1)C(=O)N
InChI:   InChI=1/C10H12N2O2S/c1-12(8-5-3-2-4-6-8)9(13)7-15-10(11)14/h2-6H,7H2,1H3,(H2,11,14)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=39.7306 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.284 g/mol  logS: -2.80738  SlogP: 1.4613  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.065696  Sterimol/B1: 2.19592  Sterimol/B2: 2.27905  Sterimol/B3: 4.13906
  Sterimol/B4: 5.51904  Sterimol/L: 14.8554 
 
 Surface and Volume Properties
  Accessible surface: 434.491  Positive charged surface: 262.62  Negative charged surface: 171.871  Volume: 207
  Hydrophobic surface: 264.196  Hydrophilic surface: 170.295
 
 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.