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ASINEX-ZINC04997972

 MMsINC code: MMs00427254
Type: Neutral
Formula: C15H18N2O3S2
SMILES:   s1cccc1S(=O)(=O)N(C)c1ccc(cc1)C(=O)NC(C)C
InChI:   InChI=1/C15H18N2O3S2/c1-11(2)16-15(18)12-6-8-13(9-7-12)17(3)22(19,20)14-5-4-10-21-14/h4-11H,1-3H3,(H,16,18)

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Potential Energy
Epot(MMFF94)=61.2554 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.452 g/mol  logS: -3.88786  SlogP: 2.7114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0441452  Sterimol/B1: 3.28874  Sterimol/B2: 4.29064  Sterimol/B3: 4.31439
  Sterimol/B4: 5.45845  Sterimol/L: 17.3107 
 
 Surface and Volume Properties
  Accessible surface: 563.805  Positive charged surface: 306.251  Negative charged surface: 257.554  Volume: 305.875
  Hydrophobic surface: 429.18  Hydrophilic surface: 134.625
 
 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.