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ENAMINE-ZINC05125599

 MMsINC code: MMs01590039
Type: Neutral
Formula: C5H10N2S
SMILES:   S1C(CN(C)C1=N)C
InChI:   InChI=1/C5H10N2S/c1-4-3-7(2)5(6)8-4/h4,6H,3H2,1-2H3/b6-5-/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=-1.80812 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.215 g/mol  logS: -1.38177  SlogP: 0.98827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132347  Sterimol/B1: 2.47732  Sterimol/B2: 3.46458  Sterimol/B3: 3.54013
  Sterimol/B4: 4.10464  Sterimol/L: 9.09154 
 
 Surface and Volume Properties
  Accessible surface: 311.51  Positive charged surface: 227.774  Negative charged surface: 83.7366  Volume: 130.5
  Hydrophobic surface: 183.331  Hydrophilic surface: 128.179
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.