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PUBCHEM-ZINC02783783

 MMsINC code: MMs02925282
Type: Neutral
Formula: C15H24N2O3S
SMILES:   S=C(Nc1cc(OC)cc(OC)c1)NCCCOC(C)C
InChI:   InChI=1/C15H24N2O3S/c1-11(2)20-7-5-6-16-15(21)17-12-8-13(18-3)10-14(9-12)19-4/h8-11H,5-7H2,1-4H3,(H2,16,17,21)

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Potential Energy
Epot(MMFF94)=84.3864 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.434 g/mol  logS: -3.74442  SlogP: 2.8053  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0171003  Sterimol/B1: 2.49565  Sterimol/B2: 3.83433  Sterimol/B3: 3.98462
  Sterimol/B4: 5.51988  Sterimol/L: 19.9044 
 
 Surface and Volume Properties
  Accessible surface: 620.177  Positive charged surface: 466.634  Negative charged surface: 153.543  Volume: 310.5
  Hydrophobic surface: 459.45  Hydrophilic surface: 160.727
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.