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CHEMBLOCK-ZINC01428410

 MMsINC code: MMs00522323
Type: Neutral
Formula: C15H17NO2S
SMILES:   S(=O)(=O)(NC(C)C)c1c2c3c(CCc3ccc2)cc1
InChI:   InChI=1/C15H17NO2S/c1-10(2)16-19(17,18)14-9-8-12-7-6-11-4-3-5-13(14)15(11)12/h3-5,8-10,16H,6-7H2,1-2H3

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Potential Energy
Epot(MMFF94)=37.7065 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.372 g/mol  logS: -4.60096  SlogP: 2.62504  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157984  Sterimol/B1: 3.6292  Sterimol/B2: 4.24118  Sterimol/B3: 5.20426
  Sterimol/B4: 5.72677  Sterimol/L: 13.0582 
 
 Surface and Volume Properties
  Accessible surface: 475.385  Positive charged surface: 278.138  Negative charged surface: 189.558  Volume: 259.375
  Hydrophobic surface: 365.256  Hydrophilic surface: 110.129
 
 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.