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CHEMDIV-ZINC06859655

 MMsINC code: MMs01048090
Type: Neutral
Formula: C18H18N2O3S2
SMILES:   s1c2cc(S(=O)(=O)CCC(=O)Nc3cc(ccc3)C)ccc2nc1C
InChI:   InChI=1/C18H18N2O3S2/c1-12-4-3-5-14(10-12)20-18(21)8-9-25(22,23)15-6-7-16-17(11-15)24-13(2)19-16/h3-7,10-11H,8-9H2,1-2H3,(H,20,21)

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Potential Energy
Epot(MMFF94)=63.0702 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.485 g/mol  logS: -4.55524  SlogP: 3.71564  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0335254  Sterimol/B1: 3.33065  Sterimol/B2: 4.6265  Sterimol/B3: 4.74488
  Sterimol/B4: 5.26757  Sterimol/L: 20.6564 
 
 Surface and Volume Properties
  Accessible surface: 637.243  Positive charged surface: 343.647  Negative charged surface: 293.597  Volume: 333.875
  Hydrophobic surface: 515.976  Hydrophilic surface: 121.267
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.