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ENAMINE-ZINC03478851

 MMsINC code: MMs01464995
Type: Neutral
Formula: C15H20N2O5S
SMILES:   S(=O)(=O)(NCC(OCC(=O)N1CCCC1)=O)c1ccc(cc1)C
InChI:   InChI=1/C15H20N2O5S/c1-12-4-6-13(7-5-12)23(20,21)16-10-15(19)22-11-14(18)17-8-2-3-9-17/h4-7,16H,2-3,8-11H2,1H3

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Potential Energy
Epot(MMFF94)=37.3863 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.4 g/mol  logS: -2.72391  SlogP: 0.43892  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0438006  Sterimol/B1: 2.37057  Sterimol/B2: 2.96287  Sterimol/B3: 4.53331
  Sterimol/B4: 7.73176  Sterimol/L: 18.556 
 
 Surface and Volume Properties
  Accessible surface: 606.495  Positive charged surface: 381.527  Negative charged surface: 224.968  Volume: 305.5
  Hydrophobic surface: 439.817  Hydrophilic surface: 166.678
 
 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.