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ENAMINE-ZINC05110463

 MMsINC code: MMs01587270
Type: Neutral
Formula: C11H14N2O4S
SMILES:   s1ccc(C)c1C(OC(C(=O)NC(=O)NC)C)=O
InChI:   InChI=1/C11H14N2O4S/c1-6-4-5-18-8(6)10(15)17-7(2)9(14)13-11(16)12-3/h4-5,7H,1-3H3,(H2,12,13,14,16)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=27.5681 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.309 g/mol  logS: -2.46206  SlogP: 1.05742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0476646  Sterimol/B1: 2.45694  Sterimol/B2: 2.561  Sterimol/B3: 4.94562
  Sterimol/B4: 5.68142  Sterimol/L: 16.5605 
 
 Surface and Volume Properties
  Accessible surface: 505.481  Positive charged surface: 305.03  Negative charged surface: 200.451  Volume: 239.625
  Hydrophobic surface: 357.055  Hydrophilic surface: 148.426
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.