Chemoinformaics analysis of Intropin
Molecular Weight | 153.181 | nRot | 2 |
Heavy Atom Molecular Weight | 142.093 | nRig | 20 |
Exact Molecular Weight | 153.079 | nRing | 1 |
Solubility: LogS | -5.249 | nHRing | 0 |
Solubility: LogP | 4.997 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 22 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 1 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 11 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 8 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 2 | No. of Arom Bond | 6 |
nHA | 3 | APOL | 23.3987 |
nHD | 3 | BPOL | 10.4653 |
QED | 0.523 |
Synth | 4.659 |
Natural Product Likeliness | 2.411 |
NR-PPAR-gamma | 0.007 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.26 |
Pgp-sub | 0.027 |
HIA | 0.023 |
CACO-2 | -4.782 |
MDCK | 0.0000727 |
BBB | 0.661 |
PPB | 0.982801 |
VDSS | 1.35 |
FU | 0.0202351 |
CYP1A2-inh | 0.036 |
CYP1A2-sub | 0.607 |
CYP2c19-inh | 0.026 |
CYP2c19-sub | 0.933 |
CYP2c9-inh | 0.076 |
CYP2c9-sub | 0.342 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.726 |
CYP3a4-inh | 0.053 |
CYP3a4-sub | 0.495 |
CL | 20.862 |
T12 | 0.045 |
hERG | 0.044 |
Ames | 0.027 |
ROA | 0.049 |
SkinSen | 0.548 |
Carcinogencity | 0.011 |
EI | 0.008 |
Respiratory | 0.504 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.88939 |