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NCID-ZINC05883165

 MMsINC code: MMs02509382
Type: Neutral
Formula: C10H17N5O4
SMILES:   O1C(CO)C(O)C(O)C1n1nc(nc1)/C(=N\C)/NC
InChI:   InChI=1/C10H17N5O4/c1-11-8(12-2)9-13-4-15(14-9)10-7(18)6(17)5(3-16)19-10/h4-7,10,16-18H,3H2,1-2H3,(H,11,12)/t5-,6+,7-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=105.482 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.277 g/mol  logS: 0.4853  SlogP: -2.4191  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0479595  Sterimol/B1: 2.09713  Sterimol/B2: 3.22218  Sterimol/B3: 3.78576
  Sterimol/B4: 6.96981  Sterimol/L: 14.3609 
 
 Surface and Volume Properties
  Accessible surface: 507.623  Positive charged surface: 431.827  Negative charged surface: 75.7962  Volume: 242.625
  Hydrophobic surface: 305.949  Hydrophilic surface: 201.674
 
 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


MMs02509383
NCID-ZINC05883165