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NCID-ZINC01615460

 MMsINC code: MMs02265117
Type: Neutral
Formula: C6H10N2O2S
SMILES:   S1CC(=NC(CC1)C(O)=O)N
InChI:   InChI=1/C6H10N2O2S/c7-5-3-11-2-1-4(8-5)6(9)10/h4H,1-3H2,(H2,7,8)(H,9,10)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=35.5826 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.224 g/mol  logS: -1.3022  SlogP: -0.0663  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17456  Sterimol/B1: 2.48755  Sterimol/B2: 3.5958  Sterimol/B3: 3.88371
  Sterimol/B4: 4.86296  Sterimol/L: 9.97098 
 
 Surface and Volume Properties
  Accessible surface: 341.991  Positive charged surface: 226.298  Negative charged surface: 115.693  Volume: 149.5
  Hydrophobic surface: 125.415  Hydrophilic surface: 216.576
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02265118
NCID-ZINC01615460