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NCID-ZINC05662629

 MMsINC code: MMs02483617
Type: Neutral
Formula: C11H15N5OS
SMILES:   S=C(N\N=C(/C)\c1ccc(NC(=O)NC)cc1)N
InChI:   InChI=1/C11H15N5OS/c1-7(15-16-10(12)18)8-3-5-9(6-4-8)14-11(17)13-2/h3-6H,1-2H3,(H3,12,16,18)(H2,13,14,17)/b15-7-

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Potential Energy
Epot(MMFF94)=43.2568 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.341 g/mol  logS: -2.92043  SlogP: 0.9951  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0505353  Sterimol/B1: 2.07024  Sterimol/B2: 2.26502  Sterimol/B3: 4.32911
  Sterimol/B4: 8.37614  Sterimol/L: 15.3488 
 
 Surface and Volume Properties
  Accessible surface: 506.611  Positive charged surface: 321.076  Negative charged surface: 185.536  Volume: 246.375
  Hydrophobic surface: 273.28  Hydrophilic surface: 233.331
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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.