Chemoinformaics analysis of Meteloidine
Molecular Weight | 255.314 | nRot | 2 |
Heavy Atom Molecular Weight | 234.146 | nRig | 11 |
Exact Molecular Weight | 255.147 | nRing | 2 |
Solubility: LogS | -1.023 | nHRing | 2 |
Solubility: LogP | 0.372 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 39 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 18 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 21 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 13 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 4 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 40.0207 |
nHD | 2 | BPOL | 25.3813 |
QED | 0.539 |
Synth | 4.829 |
Natural Product Likeliness | 2.33 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.076 |
HIA | 0.514 |
CACO-2 | -4.844 |
MDCK | 0.000134996 |
BBB | 0.331 |
PPB | 0.161303 |
VDSS | 1.492 |
FU | 0.750278 |
CYP1A2-inh | 0.032 |
CYP1A2-sub | 0.097 |
CYP2c19-inh | 0.029 |
CYP2c19-sub | 0.72 |
CYP2c9-inh | 0.007 |
CYP2c9-sub | 0.248 |
CYP2d6-inh | 0.694 |
CYP2d6-sub | 0.654 |
CYP3a4-inh | 0.013 |
CYP3a4-sub | 0.468 |
CL | 9.394 |
T12 | 0.683 |
hERG | 0.034 |
Ames | 0.018 |
ROA | 0.312 |
SkinSen | 0.089 |
Carcinogencity | 0.058 |
EI | 0.011 |
Respiratory | 0.805 |
NR-Aromatase | 0.001 |
Antiviral | Yes |
Prediction | 0.816453 |