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ENAMINE-ZINC03296658

 MMsINC code: MMs01356268
Type: Neutral
Formula: C11H19N3O3S
SMILES:   S(CCC1NC(=O)N(CC(=O)NCCC)C1=O)C
InChI:   InChI=1/C11H19N3O3S/c1-3-5-12-9(15)7-14-10(16)8(4-6-18-2)13-11(14)17/h8H,3-7H2,1-2H3,(H,12,15)(H,13,17)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=1.72169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.357 g/mol  logS: -1.92969  SlogP: 0.1861  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0386187  Sterimol/B1: 2.45437  Sterimol/B2: 3.46009  Sterimol/B3: 3.94266
  Sterimol/B4: 4.46576  Sterimol/L: 19.4213 
 
 Surface and Volume Properties
  Accessible surface: 532.87  Positive charged surface: 354.146  Negative charged surface: 178.724  Volume: 258.125
  Hydrophobic surface: 321.687  Hydrophilic surface: 211.183
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.