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PUBCHEM-ZINC06524680

 MMsINC code: MMs03782722
Type: Neutral
Formula: C10H11FN4O3
SMILES:   FC1C(O)C(OC1n1c2ncncc2nc1)CO
InChI:   InChI=1/C10H11FN4O3/c11-7-8(17)6(2-16)18-10(7)15-4-14-5-1-12-3-13-9(5)15/h1,3-4,6-8,10,16-17H,2H2/t6-,7+,8-,10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.5763 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.221 g/mol  logS: -1.45677  SlogP: -0.0696  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0785761  Sterimol/B1: 2.98266  Sterimol/B2: 3.09829  Sterimol/B3: 3.29125
  Sterimol/B4: 5.2277  Sterimol/L: 12.9317 
 
 Surface and Volume Properties
  Accessible surface: 433.703  Positive charged surface: 323.219  Negative charged surface: 110.483  Volume: 208.125
  Hydrophobic surface: 210.617  Hydrophilic surface: 223.086
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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


MMs03782723
PUBCHEM-ZINC06524680