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ENAMINE-ZINC06541547

 MMsINC code: MMs01669335
Type: Neutral
Formula: C17H16N2O4S2
SMILES:   s1c2c(nc1COC(=O)CCNS(=O)(=O)c1ccccc1)cccc2
InChI:   InChI=1/C17H16N2O4S2/c20-17(10-11-18-25(21,22)13-6-2-1-3-7-13)23-12-16-19-14-8-4-5-9-15(14)24-16/h1-9,18H,10-12H2

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Potential Energy
Epot(MMFF94)=30.3312 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.457 g/mol  logS: -3.79778  SlogP: 2.9745  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0477818  Sterimol/B1: 2.43751  Sterimol/B2: 3.59971  Sterimol/B3: 3.88577
  Sterimol/B4: 6.4129  Sterimol/L: 19.6618 
 
 Surface and Volume Properties
  Accessible surface: 632.211  Positive charged surface: 325.869  Negative charged surface: 306.342  Volume: 325.625
  Hydrophobic surface: 483.689  Hydrophilic surface: 148.522
 
 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.