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CHEMDIV-ZINC06818411

 MMsINC code: MMs01041923
Type: Neutral
Formula: C18H18N4O3S2
SMILES:   s1c(nnc1S(=O)(=O)N(Cc1ccccc1)C)NC(=O)c1ccc(cc1)C
InChI:   InChI=1/C18H18N4O3S2/c1-13-8-10-15(11-9-13)16(23)19-17-20-21-18(26-17)27(24,25)22(2)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,19,20,23)

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Potential Energy
Epot(MMFF94)=78.7095 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.499 g/mol  logS: -6.0502  SlogP: 3.18592  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0611097  Sterimol/B1: 3.55281  Sterimol/B2: 3.91745  Sterimol/B3: 5.16163
  Sterimol/B4: 5.61179  Sterimol/L: 17.6779 
 
 Surface and Volume Properties
  Accessible surface: 628.384  Positive charged surface: 336.426  Negative charged surface: 291.958  Volume: 351.375
  Hydrophobic surface: 489.594  Hydrophilic surface: 138.79
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.