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PUBCHEM-ZINC04907994

 MMsINC code: MMs03182782
Type: Neutral
Formula: C19H31N3O3S
SMILES:   s1cc(nc1NC(=O)CN(C(=O)CCC1CCCC1)CCCOCC)C
InChI:   InChI=1/C19H31N3O3S/c1-3-25-12-6-11-22(18(24)10-9-16-7-4-5-8-16)13-17(23)21-19-20-15(2)14-26-19/h14,16H,3-13H2,1-2H3,(H,20,21,23)

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Potential Energy
Epot(MMFF94)=55.6369 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.541 g/mol  logS: -4.79312  SlogP: 3.61562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0481449  Sterimol/B1: 2.27262  Sterimol/B2: 3.46445  Sterimol/B3: 3.99607
  Sterimol/B4: 12.4263  Sterimol/L: 18.8408 
 
 Surface and Volume Properties
  Accessible surface: 728.475  Positive charged surface: 530.417  Negative charged surface: 198.057  Volume: 380
  Hydrophobic surface: 603.678  Hydrophilic surface: 124.797
 
 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.