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NCID-ZINC05567256

 MMsINC code: MMs02475976
Type: Neutral
Formula: C11H17N3O6
SMILES:   O1C(C(O)C(O)C1CO)c1nn(C)c(C(=O)N)c1OC
InChI:   InChI=1/C11H17N3O6/c1-14-6(11(12)18)9(19-2)5(13-14)10-8(17)7(16)4(3-15)20-10/h4,7-8,10,15-17H,3H2,1-2H3,(H2,12,18)/t4-,7+,8+,10-/m0/s1

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Potential Energy
Epot(MMFF94)=81.9107 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.272 g/mol  logS: 0.01931  SlogP: -1.8637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0946018  Sterimol/B1: 2.21242  Sterimol/B2: 2.69304  Sterimol/B3: 4.21668
  Sterimol/B4: 7.86903  Sterimol/L: 13.6578 
 
 Surface and Volume Properties
  Accessible surface: 501.134  Positive charged surface: 389.58  Negative charged surface: 111.553  Volume: 249
  Hydrophobic surface: 247.743  Hydrophilic surface: 253.391
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.