Chemoinformaics analysis of NORUSHINSUNINE
Molecular Weight | 281.311 | nRot | 0 |
Heavy Atom Molecular Weight | 266.191 | nRig | 24 |
Exact Molecular Weight | 281.105 | nRing | 5 |
Solubility: LogS | -2.918 | nHRing | 2 |
Solubility: LogP | 1.945 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 36 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 15 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 17 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 12 |
No. of Oxygen atom | 3 | No. of Arom Bond | 12 |
nHA | 4 | APOL | 41.8979 |
nHD | 2 | BPOL | 19.0901 |
QED | 0.778 |
Synth | 3.553 |
Natural Product Likeliness | 1.787 |
NR-PPAR-gamma | 0.008 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0.673 |
HIA | 0.003 |
CACO-2 | -4.734 |
MDCK | 0.0000198 |
BBB | 0.929 |
PPB | 0.849012 |
VDSS | 2.721 |
FU | 0.12995 |
CYP1A2-inh | 0.752 |
CYP1A2-sub | 0.426 |
CYP2c19-inh | 0.278 |
CYP2c19-sub | 0.795 |
CYP2c9-inh | 0.02 |
CYP2c9-sub | 0.548 |
CYP2d6-inh | 0.927 |
CYP2d6-sub | 0.874 |
CYP3a4-inh | 0.618 |
CYP3a4-sub | 0.579 |
CL | 7.44 |
T12 | 0.115 |
hERG | 0.361 |
Ames | 0.942 |
ROA | 0.603 |
SkinSen | 0.109 |
Carcinogencity | 0.416 |
EI | 0.009 |
Respiratory | 0.493 |
NR-Aromatase | 0.021 |
Antiviral | Yes |
Prediction | 0.80235 |