Chemoinformaics analysis of Carthamidin
Molecular Weight | 288.255 | nRot | 1 |
Heavy Atom Molecular Weight | 276.159 | nRig | 18 |
Exact Molecular Weight | 288.063 | nRing | 3 |
Solubility: LogS | -3.479 | nHRing | 1 |
Solubility: LogP | 2.062 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 33 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 2 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 15 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 6 | No. of Arom Bond | 12 |
nHA | 6 | APOL | 37.8635 |
nHD | 4 | BPOL | 14.6425 |
QED | 0.599 |
Synth | 2.971 |
Natural Product Likeliness | 1.851 |
NR-PPAR-gamma | 0.963 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.005 |
Pgp-sub | 0.001 |
HIA | 0.031 |
CACO-2 | -5.451 |
MDCK | 0.00000586 |
BBB | 0.012 |
PPB | 0.973913 |
VDSS | 0.438 |
FU | 0.0385273 |
CYP1A2-inh | 0.442 |
CYP1A2-sub | 0.106 |
CYP2c19-inh | 0.274 |
CYP2c19-sub | 0.058 |
CYP2c9-inh | 0.785 |
CYP2c9-sub | 0.809 |
CYP2d6-inh | 0.469 |
CYP2d6-sub | 0.339 |
CYP3a4-inh | 0.349 |
CYP3a4-sub | 0.162 |
CL | 17.735 |
T12 | 0.884 |
hERG | 0.039 |
Ames | 0.313 |
ROA | 0.633 |
SkinSen | 0.947 |
Carcinogencity | 0.581 |
EI | 0.924 |
Respiratory | 0.168 |
NR-Aromatase | 0.06 |
Antiviral | Yes |
Prediction | 0.874606 |