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NCID-ZINC05081816

 MMsINC code: MMs02437825
Type: Neutral
Formula: C19H24N2O2S
SMILES:   S(=O)(=O)(N\N=C/c1c(C)c(C)c(C)c(C)c1C)c1ccc(cc1)C
InChI:   InChI=1/C19H24N2O2S/c1-12-7-9-18(10-8-12)24(22,23)21-20-11-19-16(5)14(3)13(2)15(4)17(19)6/h7-11,21H,1-6H3/b20-11-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=143.353 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.479 g/mol  logS: -6.35616  SlogP: 3.84952  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0772971  Sterimol/B1: 2.36673  Sterimol/B2: 4.01596  Sterimol/B3: 5.52678
  Sterimol/B4: 6.12349  Sterimol/L: 16.1785 
 
 Surface and Volume Properties
  Accessible surface: 587.464  Positive charged surface: 336.336  Negative charged surface: 251.128  Volume: 336.75
  Hydrophobic surface: 492.248  Hydrophilic surface: 95.216
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.