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ENAMINE-ZINC03216934

 MMsINC code: MMs01310688
Type: Neutral
Formula: C10H15N5O4S
SMILES:   S(=O)(=O)(N(C(C)C)C(=O)NC(=O)Nc1ncccn1)C
InChI:   InChI=1/C10H15N5O4S/c1-7(2)15(20(3,18)19)10(17)14-9(16)13-8-11-5-4-6-12-8/h4-7H,1-3H3,(H2,11,12,13,14,16,17)

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Potential Energy
Epot(MMFF94)=-28.3972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.327 g/mol  logS: -1.93284  SlogP: 0.3881  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0618762  Sterimol/B1: 2.15093  Sterimol/B2: 2.51287  Sterimol/B3: 4.5502
  Sterimol/B4: 7.16542  Sterimol/L: 14.4377 
 
 Surface and Volume Properties
  Accessible surface: 502.14  Positive charged surface: 322.791  Negative charged surface: 179.349  Volume: 252.875
  Hydrophobic surface: 305.388  Hydrophilic surface: 196.752
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.