Chemoinformaics analysis of PROTOCHLOROPHYLLIDE
Molecular Weight | 612.969 | nRot | 6 |
Heavy Atom Molecular Weight | 580.713 | nRig | 36 |
Exact Molecular Weight | 612.222 | nRing | 6 |
Solubility: LogS | -3.906 | nHRing | 5 |
Solubility: LogP | 5.665 | No. of Aliphatic Rings | 3 |
Acid Count | 3 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 77 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 45 | No. of Aromatic Carbocycles | 0 |
nHetero | 10 | No. of Aromatic Hetero Cycles | 3 |
nBridge Head | 8 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 32 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 35 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 4 | No. of Arom Atom | 20 |
No. of Oxygen atom | 5 | No. of Arom Bond | 22 |
nHA | 6 | APOL | 98.7974 |
nHD | 1 | BPOL | 41.0026 |
QED | 0.183 |
Synth | 7.043 |
Natural Product Likeliness | 0.396 |
NR-PPAR-gamma | 0.414 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.793 |
Pgp-sub | 0.941 |
HIA | 0.054 |
CACO-2 | -5.828 |
MDCK | 0.00001 |
BBB | 0.005 |
PPB | 1.00539 |
VDSS | 0.159 |
FU | 0.0125164 |
CYP1A2-inh | 0.848 |
CYP1A2-sub | 0.955 |
CYP2c19-inh | 0.158 |
CYP2c19-sub | 0.258 |
CYP2c9-inh | 0.898 |
CYP2c9-sub | 0.276 |
CYP2d6-inh | 0.054 |
CYP2d6-sub | 0.249 |
CYP3a4-inh | 0.348 |
CYP3a4-sub | 0.779 |
CL | 1.285 |
T12 | 0.08 |
hERG | 0.66 |
Ames | 0.877 |
ROA | 0.933 |
SkinSen | 0.944 |
Carcinogencity | 0.678 |
EI | 0.006 |
Respiratory | 0.983 |
NR-Aromatase | 0.963 |
Antiviral | Yes |
Prediction | 0.584822 |