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ENAMINE-ZINC05101519

 MMsINC code: MMs01585465
Type: Neutral
Formula: C10H15N3O2S2
SMILES:   s1cc(nc1SC(C(C)C)C(=O)NC(=O)N)C
InChI:   InChI=1/C10H15N3O2S2/c1-5(2)7(8(14)13-9(11)15)17-10-12-6(3)4-16-10/h4-5,7H,1-3H3,(H3,11,13,14,15)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=41.7442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.381 g/mol  logS: -3.42888  SlogP: 1.76312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.098972  Sterimol/B1: 2.5126  Sterimol/B2: 3.43626  Sterimol/B3: 3.64571
  Sterimol/B4: 5.05486  Sterimol/L: 15.2722 
 
 Surface and Volume Properties
  Accessible surface: 473.916  Positive charged surface: 267.892  Negative charged surface: 206.023  Volume: 239.625
  Hydrophobic surface: 246.359  Hydrophilic surface: 227.557
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.