Chemoinformaics analysis of Verodoxin
Molecular Weight | 220.356 | nRot | 0 |
Heavy Atom Molecular Weight | 196.164 | nRig | 14 |
Exact Molecular Weight | 220.183 | nRing | 3 |
Solubility: LogS | -3.707 | nHRing | 0 |
Solubility: LogP | 3.731 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 3 |
Atoms Count | 40 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 16 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 3 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 15 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 41.855 |
nHD | 0 | BPOL | 24.945 |
QED | 0.606 |
Synth | 5.595 |
Natural Product Likeliness | 2.46 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.159 |
Pgp-sub | 0 |
HIA | 0.012 |
CACO-2 | -4.857 |
MDCK | 0.000017 |
BBB | 0.796 |
PPB | 0.909573 |
VDSS | 1.114 |
FU | 0.152039 |
CYP1A2-inh | 0.025 |
CYP1A2-sub | 0.919 |
CYP2c19-inh | 0.448 |
CYP2c19-sub | 0.935 |
CYP2c9-inh | 0.139 |
CYP2c9-sub | 0.506 |
CYP2d6-inh | 0.031 |
CYP2d6-sub | 0.386 |
CYP3a4-inh | 0.777 |
CYP3a4-sub | 0.391 |
CL | 11.281 |
T12 | 0.361 |
hERG | 0.003 |
Ames | 0.017 |
ROA | 0.255 |
SkinSen | 0.031 |
Carcinogencity | 0.101 |
EI | 0.908 |
Respiratory | 0.981 |
NR-Aromatase | 0.057 |
Antiviral | Yes |
Prediction | 0.845209 |