Chemoinformaics analysis of Biotin
Molecular Weight | 244.316 | nRot | 5 |
Heavy Atom Molecular Weight | 228.188 | nRig | 11 |
Exact Molecular Weight | 244.088 | nRing | 2 |
Solubility: LogS | -2.612 | nHRing | 2 |
Solubility: LogP | 0.63 | No. of Aliphatic Rings | 2 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 32 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 16 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 10 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 0 |
No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 34.8747 |
nHD | 3 | BPOL | 21.3873 |
QED | 0.493 |
Synth | 3.644 |
Natural Product Likeliness | 0.021 |
NR-PPAR-gamma | 0.022 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.009 |
Pgp-sub | 0.008 |
HIA | 0.049 |
CACO-2 | -5.514 |
MDCK | 0.00000351 |
BBB | 0.983 |
PPB | 0.183653 |
VDSS | 0.352 |
FU | 0.65871 |
CYP1A2-inh | 0.018 |
CYP1A2-sub | 0.06 |
CYP2c19-inh | 0.046 |
CYP2c19-sub | 0.059 |
CYP2c9-inh | 0.017 |
CYP2c9-sub | 0.959 |
CYP2d6-inh | 0.024 |
CYP2d6-sub | 0.228 |
CYP3a4-inh | 0.016 |
CYP3a4-sub | 0.041 |
CL | 3.768 |
T12 | 0.915 |
hERG | 0.003 |
Ames | 0.029 |
ROA | 0.117 |
SkinSen | 0.063 |
Carcinogencity | 0.08 |
EI | 0.015 |
Respiratory | 0.03 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.74054 |