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NCID-ZINC01593427

 MMsINC code: MMs02247790
Type: Neutral
Formula: C9H13NO2S
SMILES:   S(=O)(=O)(NC)c1cc(C)c(cc1)C
InChI:   InChI=1/C9H13NO2S/c1-7-4-5-9(6-8(7)2)13(11,12)10-3/h4-6,10H,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.3307 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.274 g/mol  logS: -2.1707  SlogP: 1.21154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117915  Sterimol/B1: 2.87615  Sterimol/B2: 3.62768  Sterimol/B3: 4.20136
  Sterimol/B4: 4.76044  Sterimol/L: 10.8214 
 
 Surface and Volume Properties
  Accessible surface: 391.668  Positive charged surface: 238.276  Negative charged surface: 153.391  Volume: 186.25
  Hydrophobic surface: 301.938  Hydrophilic surface: 89.73
 
 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.