Chemoinformaics analysis of RHAZINILAM
Molecular Weight | 294.398 | nRot | 1 |
Heavy Atom Molecular Weight | 272.222 | nRig | 23 |
Exact Molecular Weight | 294.173 | nRing | 4 |
Solubility: LogS | -4.156 | nHRing | 3 |
Solubility: LogP | 3.436 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 44 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 1 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 19 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 11 |
No. of Oxygen atom | 1 | No. of Arom Bond | 11 |
nHA | 2 | APOL | 49.4014 |
nHD | 1 | BPOL | 25.2186 |
QED | 0.834 |
Synth | 3.76 |
Natural Product Likeliness | 0.76 |
NR-PPAR-gamma | 0.644 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.928 |
Pgp-sub | 0.008 |
HIA | 0.002 |
CACO-2 | -4.603 |
MDCK | 0.0000185 |
BBB | 0.596 |
PPB | 0.840721 |
VDSS | 1.477 |
FU | 0.104955 |
CYP1A2-inh | 0.795 |
CYP1A2-sub | 0.914 |
CYP2c19-inh | 0.82 |
CYP2c19-sub | 0.462 |
CYP2c9-inh | 0.541 |
CYP2c9-sub | 0.451 |
CYP2d6-inh | 0.702 |
CYP2d6-sub | 0.86 |
CYP3a4-inh | 0.896 |
CYP3a4-sub | 0.482 |
CL | 2.946 |
T12 | 0.386 |
hERG | 0.163 |
Ames | 0.743 |
ROA | 0.852 |
SkinSen | 0.048 |
Carcinogencity | 0.687 |
EI | 0.012 |
Respiratory | 0.803 |
NR-Aromatase | 0.629 |
Antiviral | Yes |
Prediction | 0.616462 |