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NCID-ZINC01703540

 MMsINC code: MMs02332567
Type: Neutral
Formula: C18H26N2O4S
SMILES:   S(=O)(=O)(N1CCCCC1)c1ccc(NC(OC2CCCCC2)=O)cc1
InChI:   InChI=1/C18H26N2O4S/c21-18(24-16-7-3-1-4-8-16)19-15-9-11-17(12-10-15)25(22,23)20-13-5-2-6-14-20/h9-12,16H,1-8,13-14H2,(H,19,21)

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Potential Energy
Epot(MMFF94)=29.4077 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.482 g/mol  logS: -3.80264  SlogP: 3.7424  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0399789  Sterimol/B1: 3.85421  Sterimol/B2: 4.02986  Sterimol/B3: 4.14564
  Sterimol/B4: 4.67797  Sterimol/L: 19.8581 
 
 Surface and Volume Properties
  Accessible surface: 631.489  Positive charged surface: 441.117  Negative charged surface: 190.372  Volume: 341.5
  Hydrophobic surface: 526.69  Hydrophilic surface: 104.799
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.