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NCID-ZINC05849425

 MMsINC code: MMs02507468
Type: Neutral
Formula: C10H10F2N4O2
SMILES:   FC1CC(OC1n1c2ncnc(F)c2nc1)CO
InChI:   InChI=1/C10H10F2N4O2/c11-6-1-5(2-17)18-10(6)16-4-15-7-8(12)13-3-14-9(7)16/h3-6,10,17H,1-2H2/t5-,6-,10+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.3794 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.212 g/mol  logS: -2.46732  SlogP: 1.0987  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0760863  Sterimol/B1: 2.43032  Sterimol/B2: 2.53265  Sterimol/B3: 4.15454
  Sterimol/B4: 5.09741  Sterimol/L: 13.026 
 
 Surface and Volume Properties
  Accessible surface: 425.931  Positive charged surface: 291.116  Negative charged surface: 134.814  Volume: 205.5
  Hydrophobic surface: 232.266  Hydrophilic surface: 193.665
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.