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IFLAB-ZINC04275779

 MMsINC code: MMs02034442
Type: Neutral
Formula: C10H10N2O4S
SMILES:   s1ccc(C(=O)N)c1NC(=O)C=1OCCOC=1
InChI:   InChI=1/C10H10N2O4S/c11-8(13)6-1-4-17-10(6)12-9(14)7-5-15-2-3-16-7/h1,4-5H,2-3H2,(H2,11,13)(H,12,14)

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Potential Energy
Epot(MMFF94)=56.6513 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.266 g/mol  logS: -2.33278  SlogP: 0.6737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0133835  Sterimol/B1: 2.8675  Sterimol/B2: 2.94932  Sterimol/B3: 3.73511
  Sterimol/B4: 5.21399  Sterimol/L: 13.4039 
 
 Surface and Volume Properties
  Accessible surface: 436.187  Positive charged surface: 251.323  Negative charged surface: 184.863  Volume: 210.125
  Hydrophobic surface: 280.963  Hydrophilic surface: 155.224
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.