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CHEMDIV-ZINC03900217

 MMsINC code: MMs00918275
Type: Neutral
Formula: C15H18N4O4S
SMILES:   S(=O)(=O)(N(CC(=O)N)c1nc(cc(OC)n1)C)c1ccc(cc1)C
InChI:   InChI=1/C15H18N4O4S/c1-10-4-6-12(7-5-10)24(21,22)19(9-13(16)20)15-17-11(2)8-14(18-15)23-3/h4-8H,9H2,1-3H3,(H2,16,20)

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Potential Energy
Epot(MMFF94)=20.9744 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.399 g/mol  logS: -4.05441  SlogP: 0.78264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.189783  Sterimol/B1: 2.86014  Sterimol/B2: 5.62569  Sterimol/B3: 5.98572
  Sterimol/B4: 6.29868  Sterimol/L: 14.5467 
 
 Surface and Volume Properties
  Accessible surface: 570.727  Positive charged surface: 355.917  Negative charged surface: 214.81  Volume: 310.875
  Hydrophobic surface: 400.705  Hydrophilic surface: 170.022
 
 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.