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NCID-ZINC05351034

 MMsINC code: MMs02453930
Type: Neutral
Formula: C10H14N6O4
SMILES:   O1C(CO)C(O)C(O)C1n1c2N=CN(N)C(=N)c2nc1
InChI:   InChI=1/C10H14N6O4/c11-8-5-9(14-3-16(8)12)15(2-13-5)10-7(19)6(18)4(1-17)20-10/h2-4,6-7,10-11,17-19H,1,12H2/b11-8+/t4-,6+,7-,10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=125.183 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.26 g/mol  logS: -0.79542  SlogP: -2.23543  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0778141  Sterimol/B1: 1.50613  Sterimol/B2: 1.93432  Sterimol/B3: 5.08463
  Sterimol/B4: 6.74207  Sterimol/L: 14.3039 
 
 Surface and Volume Properties
  Accessible surface: 475.296  Positive charged surface: 348.255  Negative charged surface: 127.041  Volume: 234.375
  Hydrophobic surface: 165.692  Hydrophilic surface: 309.604
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 8  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


MMs02453931
NCID-ZINC05351034