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NCID-ZINC05640316

 MMsINC code: MMs02481708
Type: Neutral
Formula: C15H21NO6S2
SMILES:   S(=O)(=O)(N=S(CCOC(=O)C)CCOC(=O)C)c1ccc(cc1)C
InChI:   InChI=1/C15H21NO6S2/c1-12-4-6-15(7-5-12)24(19,20)16-23(10-8-21-13(2)17)11-9-22-14(3)18/h4-7H,8-11H2,1-3H3

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Potential Energy
Epot(MMFF94)=72.1148 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.466 g/mol  logS: -3.80829  SlogP: 1.71692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102881  Sterimol/B1: 2.45501  Sterimol/B2: 3.64836  Sterimol/B3: 6.22772
  Sterimol/B4: 7.91364  Sterimol/L: 17.6794 
 
 Surface and Volume Properties
  Accessible surface: 649.037  Positive charged surface: 371.988  Negative charged surface: 277.049  Volume: 328.75
  Hydrophobic surface: 486.91  Hydrophilic surface: 162.127
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 3  Basic groups: 1
  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.