Chemoinformaics analysis of Thymidine
Molecular Weight | 242.231 | nRot | 2 |
Heavy Atom Molecular Weight | 228.119 | nRig | 13 |
Exact Molecular Weight | 242.09 | nRing | 2 |
Solubility: LogS | -0.83 | nHRing | 2 |
Solubility: LogP | -1.108 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 31 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 17 | No. of Aromatic Carbocycles | 0 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 10 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 6 |
No. of Oxygen atom | 5 | No. of Arom Bond | 6 |
nHA | 6 | APOL | 32.2451 |
nHD | 3 | BPOL | 19.7969 |
QED | 0.584 |
Synth | 3.376 |
Natural Product Likeliness | 1.038 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.026 |
HIA | 0.677 |
CACO-2 | -5.596 |
MDCK | 0.000694817 |
BBB | 0.685 |
PPB | 0.111465 |
VDSS | 0.424 |
FU | 0.787436 |
CYP1A2-inh | 0.011 |
CYP1A2-sub | 0.504 |
CYP2c19-inh | 0.025 |
CYP2c19-sub | 0.062 |
CYP2c9-inh | 0.003 |
CYP2c9-sub | 0.413 |
CYP2d6-inh | 0.006 |
CYP2d6-sub | 0.126 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.106 |
CL | 8.372 |
T12 | 0.858 |
hERG | 0.007 |
Ames | 0.017 |
ROA | 0.012 |
SkinSen | 0.049 |
Carcinogencity | 0.027 |
EI | 0.014 |
Respiratory | 0.009 |
NR-Aromatase | 0.005 |
Antiviral | No |
Prediction | 0.975499 |