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PUBCHEM-ZINC05114003

 MMsINC code: MMs03202069
Type: Neutral
Formula: C10H12FN5O4
SMILES:   Fc1nc(N)c2n[nH]c(c2n1)C1OC(CO)C(O)C1O
InChI:   InChI=1/C10H12FN5O4/c11-10-13-3-4(15-16-5(3)9(12)14-10)8-7(19)6(18)2(1-17)20-8/h2,6-8,17-19H,1H2,(H,15,16)(H2,12,13,14)/t2-,6-,7-,8+/m1/s1

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Potential Energy
Epot(MMFF94)=84.8862 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.235 g/mol  logS: -1.27846  SlogP: -1.6763  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0593357  Sterimol/B1: 2.83314  Sterimol/B2: 2.89481  Sterimol/B3: 3.2186
  Sterimol/B4: 5.54279  Sterimol/L: 13.9154 
 
 Surface and Volume Properties
  Accessible surface: 462.649  Positive charged surface: 314.071  Negative charged surface: 148.579  Volume: 225.375
  Hydrophobic surface: 134.878  Hydrophilic surface: 327.771
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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: no related molecules available.