Chemoinformaics analysis of DL-DIHYDROZEATIN
Molecular Weight | 221.264 | nRot | 5 |
Heavy Atom Molecular Weight | 206.144 | nRig | 11 |
Exact Molecular Weight | 221.128 | nRing | 2 |
Solubility: LogS | -2.003 | nHRing | 2 |
Solubility: LogP | 0.395 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 31 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 16 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 15 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 10 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 5 | No. of Arom Atom | 9 |
No. of Oxygen atom | 1 | No. of Arom Bond | 10 |
nHA | 5 | APOL | 33.0039 |
nHD | 3 | BPOL | 19.6081 |
QED | 0.689 |
Synth | 4.11 |
Natural Product Likeliness | 0.759 |
NR-PPAR-gamma | 0.019 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.998 |
HIA | 0.013 |
CACO-2 | -4.826 |
MDCK | 0.00000366 |
BBB | 0.41 |
PPB | 0.174347 |
VDSS | 1.015 |
FU | 0.741557 |
CYP1A2-inh | 0.168 |
CYP1A2-sub | 0.152 |
CYP2c19-inh | 0.054 |
CYP2c19-sub | 0.06 |
CYP2c9-inh | 0.008 |
CYP2c9-sub | 0.407 |
CYP2d6-inh | 0.667 |
CYP2d6-sub | 0.029 |
CYP3a4-inh | 0.138 |
CYP3a4-sub | 0.686 |
CL | 10.741 |
T12 | 0.911 |
hERG | 0.037 |
Ames | 0.016 |
ROA | 0.982 |
SkinSen | 0.925 |
Carcinogencity | 0.022 |
EI | 0.542 |
Respiratory | 0.977 |
NR-Aromatase | 0.923 |
Antiviral | No |
Prediction | 0.644431 |