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NCID-ZINC04809392

 MMsINC code: MMs02409366
Type: Neutral
Formula: C3H8N2OS
SMILES:   SCC(N)C(=O)N
InChI:   InChI=1/C3H8N2OS/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H2,5,6)/t2-/m0/s1

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Potential Energy
Epot(MMFF94)=27.1669 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 120.176 g/mol  logS: -0.54892  SlogP: -1.2712  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.163516  Sterimol/B1: 2.48297  Sterimol/B2: 2.53519  Sterimol/B3: 3.2775
  Sterimol/B4: 4.35962  Sterimol/L: 9.18245 
 
 Surface and Volume Properties
  Accessible surface: 282.876  Positive charged surface: 179.535  Negative charged surface: 103.341  Volume: 107.375
  Hydrophobic surface: 79.2136  Hydrophilic surface: 203.6624
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.