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ENAMINE-ZINC04746814

 MMsINC code: MMs01551541
Type: Neutral
Formula: C10H10N4OS
SMILES:   S(CC(=O)N)c1nncn1-c1ccccc1
InChI:   InChI=1/C10H10N4OS/c11-9(15)6-16-10-13-12-7-14(10)8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,15)

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Potential Energy
Epot(MMFF94)=56.0835 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.283 g/mol  logS: -3.60295  SlogP: 0.8447  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0514073  Sterimol/B1: 2.60429  Sterimol/B2: 2.90619  Sterimol/B3: 3.15209
  Sterimol/B4: 6.56579  Sterimol/L: 13.4589 
 
 Surface and Volume Properties
  Accessible surface: 436.911  Positive charged surface: 247.407  Negative charged surface: 189.504  Volume: 209.75
  Hydrophobic surface: 255.288  Hydrophilic surface: 181.623
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.