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IBS-ZINC00525661

 MMsINC code: MMs01746302
Type: Neutral
Formula: C6H10N2O2S
SMILES:   S=C1NC(C(O)C)C(=O)N1C
InChI:   InChI=1/C6H10N2O2S/c1-3(9)4-5(10)8(2)6(11)7-4/h3-4,9H,1-2H3,(H,7,11)/t3-,4-/m1/s1

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Potential Energy
Epot(MMFF94)=19.3358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.224 g/mol  logS: -1.39412  SlogP: -0.9177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0904995  Sterimol/B1: 2.6733  Sterimol/B2: 3.31107  Sterimol/B3: 4.31401
  Sterimol/B4: 4.36783  Sterimol/L: 10.2591 
 
 Surface and Volume Properties
  Accessible surface: 353  Positive charged surface: 222.393  Negative charged surface: 130.607  Volume: 154.875
  Hydrophobic surface: 157.794  Hydrophilic surface: 195.206
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.