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PUBCHEM-ZINC03077790

 MMsINC code: MMs02990512
Type: Neutral
Formula: C11H16N4O2S
SMILES:   S(CC(=O)N)c1nc(cc(n1)N1CCOCC1)C
InChI:   InChI=1/C11H16N4O2S/c1-8-6-10(15-2-4-17-5-3-15)14-11(13-8)18-7-9(12)16/h6H,2-5,7H2,1H3,(H2,12,16)

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Potential Energy
Epot(MMFF94)=72.3165 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.341 g/mol  logS: -3.03298  SlogP: 0.19902  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0334523  Sterimol/B1: 2.12368  Sterimol/B2: 2.6477  Sterimol/B3: 3.43152
  Sterimol/B4: 7.81669  Sterimol/L: 15.0933 
 
 Surface and Volume Properties
  Accessible surface: 499.741  Positive charged surface: 368.612  Negative charged surface: 131.129  Volume: 245.375
  Hydrophobic surface: 305.392  Hydrophilic surface: 194.349
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.