Chemoinformaics analysis of ARBORININE
Molecular Weight | 285.299 | nRot | 2 |
Heavy Atom Molecular Weight | 270.179 | nRig | 17 |
Exact Molecular Weight | 285.1 | nRing | 3 |
Solubility: LogS | -3.559 | nHRing | 1 |
Solubility: LogP | 2.251 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 36 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 15 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 16 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 14 |
No. of Oxygen atom | 4 | No. of Arom Bond | 16 |
nHA | 5 | APOL | 41.0299 |
nHD | 1 | BPOL | 21.0981 |
QED | 0.735 |
Synth | 2.21 |
Natural Product Likeliness | 0.71 |
NR-PPAR-gamma | 0.673 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.003 |
Pgp-sub | 0.004 |
HIA | 0.03 |
CACO-2 | -4.87 |
MDCK | 0.0000313 |
BBB | 0.445 |
PPB | 0.919465 |
VDSS | 0.841 |
FU | 0.0714502 |
CYP1A2-inh | 0.957 |
CYP1A2-sub | 0.974 |
CYP2c19-inh | 0.607 |
CYP2c19-sub | 0.838 |
CYP2c9-inh | 0.671 |
CYP2c9-sub | 0.868 |
CYP2d6-inh | 0.425 |
CYP2d6-sub | 0.86 |
CYP3a4-inh | 0.383 |
CYP3a4-sub | 0.423 |
CL | 2.793 |
T12 | 0.441 |
hERG | 0.034 |
Ames | 0.786 |
ROA | 0.24 |
SkinSen | 0.476 |
Carcinogencity | 0.883 |
EI | 0.813 |
Respiratory | 0.731 |
NR-Aromatase | 0.49 |
Antiviral | Yes |
Prediction | 0.727995 |