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MAYBRIDGE-ZINC00169612

 MMsINC code: MMs02145739
Type: Neutral
Formula: C14H15N3O5S
SMILES:   s1cccc1CN1C=C(C(=O)NC(OCC)=O)C(=O)N(C)C1=O
InChI:   InChI=1/C14H15N3O5S/c1-3-22-13(20)15-11(18)10-8-17(7-9-5-4-6-23-9)14(21)16(2)12(10)19/h4-6,8H,3,7H2,1-2H3,(H,15,18,20)

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Potential Energy
Epot(MMFF94)=-2.63471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.356 g/mol  logS: -2.74914  SlogP: 1.5651  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0646236  Sterimol/B1: 2.96172  Sterimol/B2: 4.58148  Sterimol/B3: 4.85776
  Sterimol/B4: 5.71685  Sterimol/L: 17.1299 
 
 Surface and Volume Properties
  Accessible surface: 567.518  Positive charged surface: 352.708  Negative charged surface: 214.809  Volume: 289.375
  Hydrophobic surface: 390.16  Hydrophilic surface: 177.358
 
 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.