Chemoinformaics analysis of Glaziovine
Molecular Weight | 297.354 | nRot | 1 |
Heavy Atom Molecular Weight | 278.202 | nRig | 21 |
Exact Molecular Weight | 297.137 | nRing | 4 |
Solubility: LogS | -1.5 | nHRing | 1 |
Solubility: LogP | 1.634 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 41 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 19 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 18 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 3 | No. of Arom Bond | 6 |
nHA | 4 | APOL | 46.2351 |
nHD | 1 | BPOL | 23.3749 |
QED | 0.864 |
Synth | 4.102 |
Natural Product Likeliness | 1.909 |
NR-PPAR-gamma | 0.361 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.003 |
Pgp-sub | 0.076 |
HIA | 0.007 |
CACO-2 | -4.641 |
MDCK | 0.0000271 |
BBB | 0.909 |
PPB | 0.887816 |
VDSS | 1.116 |
FU | 0.0497182 |
CYP1A2-inh | 0.06 |
CYP1A2-sub | 0.528 |
CYP2c19-inh | 0.144 |
CYP2c19-sub | 0.829 |
CYP2c9-inh | 0.055 |
CYP2c9-sub | 0.585 |
CYP2d6-inh | 0.338 |
CYP2d6-sub | 0.624 |
CYP3a4-inh | 0.021 |
CYP3a4-sub | 0.852 |
CL | 6.701 |
T12 | 0.885 |
hERG | 0.468 |
Ames | 0.024 |
ROA | 0.211 |
SkinSen | 0.871 |
Carcinogencity | 0.922 |
EI | 0.011 |
Respiratory | 0.969 |
NR-Aromatase | 0.256 |
Antiviral | Yes |
Prediction | 0.732967 |