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PUBCHEM-ZINC06709013

 MMsINC code: MMs03844939
Type: Neutral
Formula: C10H19N5S
SMILES:   S(CCN(CC)CC)c1nc(N)cc(n1)N
InChI:   InChI=1/C10H19N5S/c1-3-15(4-2)5-6-16-10-13-8(11)7-9(12)14-10/h7H,3-6H2,1-2H3,(H4,11,12,13,14)

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Potential Energy
Epot(MMFF94)=-5.60115 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.363 g/mol  logS: -2.52747  SlogP: 1.0749  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0560457  Sterimol/B1: 2.30619  Sterimol/B2: 2.38161  Sterimol/B3: 4.69626
  Sterimol/B4: 6.1398  Sterimol/L: 14.5754 
 
 Surface and Volume Properties
  Accessible surface: 499.989  Positive charged surface: 365.3  Negative charged surface: 134.689  Volume: 239.875
  Hydrophobic surface: 235.883  Hydrophilic surface: 264.106
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03844940
PUBCHEM-ZINC06709013