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ASINEX-ZINC04726094

 MMsINC code: MMs00366753
Type: Neutral
Formula: C11H17N3O5
SMILES:   O=C1N(C)C(=O)N(C)C(=O)C1=CNC(CO)(CO)C
InChI:   InChI=1/C11H17N3O5/c1-11(5-15,6-16)12-4-7-8(17)13(2)10(19)14(3)9(7)18/h4,12,15-16H,5-6H2,1-3H3

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Potential Energy
Epot(MMFF94)=37.8587 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.273 g/mol  logS: -0.28704  SlogP: -1.7464  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0903718  Sterimol/B1: 2.47924  Sterimol/B2: 3.08697  Sterimol/B3: 5.64696
  Sterimol/B4: 6.05199  Sterimol/L: 13.7443 
 
 Surface and Volume Properties
  Accessible surface: 482.141  Positive charged surface: 375.884  Negative charged surface: 106.257  Volume: 243.75
  Hydrophobic surface: 275.773  Hydrophilic surface: 206.368
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.