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NCID-ZINC04995557

 MMsINC code: MMs02426163
Type: Neutral
Formula: C10H12FN5O3
SMILES:   Fc1nc(N)c2ncn(c2n1)C1OC(CO)C(O)C1
InChI:   InChI=1/C10H12FN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5-,6-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.1505 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.236 g/mol  logS: -2.26371  SlogP: -0.7162  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0850483  Sterimol/B1: 2.16711  Sterimol/B2: 3.5182  Sterimol/B3: 3.72746
  Sterimol/B4: 5.90846  Sterimol/L: 13.7593 
 
 Surface and Volume Properties
  Accessible surface: 457.769  Positive charged surface: 327.921  Negative charged surface: 129.848  Volume: 221.125
  Hydrophobic surface: 210.023  Hydrophilic surface: 247.746
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.