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NCID-ZINC01646416

 MMsINC code: MMs02287069
Type: Neutral
Formula: C10H15N5O2S
SMILES:   S=C(NC=1C(=O)N(C)C(=O)N(C)C=1N)NCC=C
InChI:   InChI=1/C10H15N5O2S/c1-4-5-12-9(18)13-6-7(11)14(2)10(17)15(3)8(6)16/h4H,1,5,11H2,2-3H3,(H2,12,13,18)

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Potential Energy
Epot(MMFF94)=46.3798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.329 g/mol  logS: -2.0394  SlogP: -0.7119  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0472094  Sterimol/B1: 2.41401  Sterimol/B2: 3.10661  Sterimol/B3: 3.43695
  Sterimol/B4: 7.0274  Sterimol/L: 14.8494 
 
 Surface and Volume Properties
  Accessible surface: 479.258  Positive charged surface: 334.824  Negative charged surface: 144.434  Volume: 240.25
  Hydrophobic surface: 233.428  Hydrophilic surface: 245.83
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.