Chemoinformaics analysis of DIHYDROSANGUINARINE
Molecular Weight | 333.343 | nRot | 0 |
Heavy Atom Molecular Weight | 318.223 | nRig | 29 |
Exact Molecular Weight | 333.1 | nRing | 6 |
Solubility: LogS | -7.811 | nHRing | 3 |
Solubility: LogP | 5.281 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 40 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 25 | No. of Aromatic Carbocycles | 3 |
nHetero | 5 | 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 | 20 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 16 |
No. of Oxygen atom | 4 | No. of Arom Bond | 17 |
nHA | 5 | APOL | 47.7099 |
nHD | 0 | BPOL | 23.7021 |
QED | 0.624 |
Synth | 2.766 |
Natural Product Likeliness | 1.081 |
NR-PPAR-gamma | 0.047 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.023 |
Pgp-sub | 0.007 |
HIA | 0.001 |
CACO-2 | -5.062 |
MDCK | 0.0000302 |
BBB | 0.225 |
PPB | 0.960863 |
VDSS | 0.712 |
FU | 0.0102106 |
CYP1A2-inh | 0.993 |
CYP1A2-sub | 0.171 |
CYP2c19-inh | 0.984 |
CYP2c19-sub | 0.132 |
CYP2c9-inh | 0.698 |
CYP2c9-sub | 0.911 |
CYP2d6-inh | 0.988 |
CYP2d6-sub | 0.928 |
CYP3a4-inh | 0.915 |
CYP3a4-sub | 0.135 |
CL | 16.77 |
T12 | 0.106 |
hERG | 0.216 |
Ames | 0.855 |
ROA | 0.103 |
SkinSen | 0.869 |
Carcinogencity | 0.956 |
EI | 0.068 |
Respiratory | 0.906 |
NR-Aromatase | 0.379 |
Antiviral | Yes |
Prediction | 0.800997 |