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MDPI-ZINC03851688

 MMsINC code: MMs02183453
Type: Neutral
Formula: C17H19NO5S
SMILES:   S(=O)(=O)(NC(C(O)C(OC)=O)c1ccccc1)c1ccc(cc1)C
InChI:   InChI=1/C17H19NO5S/c1-12-8-10-14(11-9-12)24(21,22)18-15(16(19)17(20)23-2)13-6-4-3-5-7-13/h3-11,15-16,18-19H,1-2H3/t15-,16-/m0/s1

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Potential Energy
Epot(MMFF94)=52.1513 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.407 g/mol  logS: -3.67031  SlogP: 1.64402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158909  Sterimol/B1: 3.74583  Sterimol/B2: 4.82408  Sterimol/B3: 5.14377
  Sterimol/B4: 6.35606  Sterimol/L: 15.0649 
 
 Surface and Volume Properties
  Accessible surface: 568.27  Positive charged surface: 330.176  Negative charged surface: 238.094  Volume: 316.125
  Hydrophobic surface: 439.987  Hydrophilic surface: 128.283
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.