Chemoinformaics analysis of Biliverdin
Molecular Weight | 582.657 | nRot | 11 |
Heavy Atom Molecular Weight | 548.385 | nRig | 29 |
Exact Molecular Weight | 582.248 | nRing | 4 |
Solubility: LogS | -2.368 | nHRing | 4 |
Solubility: LogP | 6.301 | No. of Aliphatic Rings | 2 |
Acid Count | 2 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 77 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 43 | No. of Aromatic Carbocycles | 0 |
nHetero | 10 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 34 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 33 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 4 | No. of Arom Atom | 10 |
No. of Oxygen atom | 6 | No. of Arom Bond | 10 |
nHA | 4 | APOL | 86.993 |
nHD | 5 | BPOL | 40.431 |
QED | 0.133 |
Synth | 4.437 |
Natural Product Likeliness | 0.443 |
NR-PPAR-gamma | 0.225 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.04 |
HIA | 0.015 |
CACO-2 | -6.073 |
MDCK | 0.00000264 |
BBB | 0.013 |
PPB | 1.00288 |
VDSS | 0.42 |
FU | 0.0306745 |
CYP1A2-inh | 0.691 |
CYP1A2-sub | 0.55 |
CYP2c19-inh | 0.03 |
CYP2c19-sub | 0.042 |
CYP2c9-inh | 0.086 |
CYP2c9-sub | 0.973 |
CYP2d6-inh | 0.098 |
CYP2d6-sub | 0.636 |
CYP3a4-inh | 0.044 |
CYP3a4-sub | 0.118 |
CL | 0.588 |
T12 | 0.933 |
hERG | 0.095 |
Ames | 0.073 |
ROA | 0.999 |
SkinSen | 0.87 |
Carcinogencity | 0.819 |
EI | 0.025 |
Respiratory | 0.982 |
NR-Aromatase | 0.737 |
Antiviral | Yes |
Prediction | 0.816188 |