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ASINEX-ZINC04957267

 MMsINC code: MMs00413218
Type: Neutral
Formula: C15H17N3O5S
SMILES:   S(=O)(=O)(NNC(=O)C(=O)NCCOC)c1cc2c(cc1)cccc2
InChI:   InChI=1/C15H17N3O5S/c1-23-9-8-16-14(19)15(20)17-18-24(21,22)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,18H,8-9H2,1H3,(H,16,19)(H,17,20)

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Potential Energy
Epot(MMFF94)=101.817 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.383 g/mol  logS: -3.98308  SlogP: -0.0881  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0357557  Sterimol/B1: 2.53482  Sterimol/B2: 4.69031  Sterimol/B3: 5.2586
  Sterimol/B4: 5.85529  Sterimol/L: 17.885 
 
 Surface and Volume Properties
  Accessible surface: 609.079  Positive charged surface: 363.928  Negative charged surface: 234.621  Volume: 303.125
  Hydrophobic surface: 416.51  Hydrophilic surface: 192.569
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.