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ASINEX-ZINC00796151

 MMsINC code: MMs00167764
Type: Neutral
Formula: C10H10N4S
SMILES:   Sc1n2-c3c(N(c2nn1)CC)cccc3
InChI:   InChI=1/C10H10N4S/c1-2-13-7-5-3-4-6-8(7)14-9(13)11-12-10(14)15/h3-6H,2H2,1H3,(H,12,15)

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Potential Energy
Epot(MMFF94)=70.8254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.284 g/mol  logS: -4.35569  SlogP: 2.0274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0676932  Sterimol/B1: 2.0644  Sterimol/B2: 3.38458  Sterimol/B3: 4.80522
  Sterimol/B4: 5.84398  Sterimol/L: 11.4898 
 
 Surface and Volume Properties
  Accessible surface: 403.958  Positive charged surface: 209.462  Negative charged surface: 194.496  Volume: 198.25
  Hydrophobic surface: 252.169  Hydrophilic surface: 151.789
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.