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NCID-ZINC05883163

 MMsINC code: MMs02509380
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)=112.593 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: 0.133442  Sterimol/B1: 3.42559  Sterimol/B2: 3.51012  Sterimol/B3: 4.07347
  Sterimol/B4: 6.27713  Sterimol/L: 12.88 
 
 Surface and Volume Properties
  Accessible surface: 496.953  Positive charged surface: 421.737  Negative charged surface: 75.2168  Volume: 241.625
  Hydrophobic surface: 302.651  Hydrophilic surface: 194.302
 
 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


MMs02509381
NCID-ZINC05883163