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NCID-ZINC05369078

 MMsINC code: MMs02455259
Type: Neutral
Formula: C10H13N5O4
SMILES:   O1C(CO)C(O)C(O)C1n1nnc2c1ccnc2N
InChI:   InChI=1/C10H13N5O4/c11-9-6-4(1-2-12-9)15(14-13-6)10-8(18)7(17)5(3-16)19-10/h1-2,5,7-8,10,16-18H,3H2,(H2,11,12)/t5-,7+,8+,10+/m0/s1

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Potential Energy
Epot(MMFF94)=98.5286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.245 g/mol  logS: 0.61074  SlogP: -1.8845  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0895335  Sterimol/B1: 2.4161  Sterimol/B2: 3.10405  Sterimol/B3: 4.28505
  Sterimol/B4: 5.39812  Sterimol/L: 12.775 
 
 Surface and Volume Properties
  Accessible surface: 447.493  Positive charged surface: 310.038  Negative charged surface: 137.455  Volume: 222.625
  Hydrophobic surface: 169.607  Hydrophilic surface: 277.886
 
 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


MMs02455260
NCID-ZINC05369078