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NCID-ZINC01642393

 MMsINC code: MMs02284227
Type: Neutral
Formula: C10H15N3O4S
SMILES:   S=C1NC(=O)NC(C)=C1C(=O)NC(CO)(CO)C
InChI:   InChI=1/C10H15N3O4S/c1-5-6(8(18)12-9(17)11-5)7(16)13-10(2,3-14)4-15/h14-15H,3-4H2,1-2H3,(H,13,16)(H2,11,12,17,18)

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Potential Energy
Epot(MMFF94)=39.5621 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.313 g/mol  logS: -2.07678  SlogP: -1.2399  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113802  Sterimol/B1: 2.2229  Sterimol/B2: 3.39064  Sterimol/B3: 3.62379
  Sterimol/B4: 7.58872  Sterimol/L: 13.431 
 
 Surface and Volume Properties
  Accessible surface: 452.75  Positive charged surface: 281.133  Negative charged surface: 171.617  Volume: 236
  Hydrophobic surface: 169.909  Hydrophilic surface: 282.841
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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.