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NCID-ZINC00190540

 MMsINC code: MMs02213712
Type: Neutral
Formula: C12H19NO2S
SMILES:   S(=O)(=O)(N)c1cc(ccc1C(C)C)C(C)C
InChI:   InChI=1/C12H19NO2S/c1-8(2)10-5-6-11(9(3)4)12(7-10)16(13,14)15/h5-9H,1-4H3,(H2,13,14,15)

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Potential Energy
Epot(MMFF94)=27.7279 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.355 g/mol  logS: -4.30676  SlogP: 2.5808  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156895  Sterimol/B1: 2.51887  Sterimol/B2: 3.58647  Sterimol/B3: 4.66765
  Sterimol/B4: 5.69481  Sterimol/L: 11.9298 
 
 Surface and Volume Properties
  Accessible surface: 448.993  Positive charged surface: 274.509  Negative charged surface: 174.484  Volume: 235
  Hydrophobic surface: 261.503  Hydrophilic surface: 187.49
 
 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


MMs02213713
NCID-ZINC00190540