Chemoinformaics analysis of 5-Hydroxytryptamine
Molecular Weight | 176.219 | nRot | 2 |
Heavy Atom Molecular Weight | 164.123 | nRig | 10 |
Exact Molecular Weight | 176.095 | nRing | 2 |
Solubility: LogS | -1.208 | nHRing | 1 |
Solubility: LogP | 0.683 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 25 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 13 | No. of Aromatic Carbocycles | 1 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 10 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 9 |
No. of Oxygen atom | 1 | No. of Arom Bond | 10 |
nHA | 2 | APOL | 27.7035 |
nHD | 3 | BPOL | 12.0385 |
QED | 0.647 |
Synth | 2.13 |
Natural Product Likeliness | 0.636 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.443 |
HIA | 0.421 |
CACO-2 | -4.925 |
MDCK | 0.00000279 |
BBB | 0.109 |
PPB | 0.166766 |
VDSS | 1.253 |
FU | 0.746668 |
CYP1A2-inh | 0.816 |
CYP1A2-sub | 0.783 |
CYP2c19-inh | 0.108 |
CYP2c19-sub | 0.064 |
CYP2c9-inh | 0.036 |
CYP2c9-sub | 0.927 |
CYP2d6-inh | 0.671 |
CYP2d6-sub | 0.916 |
CYP3a4-inh | 0.031 |
CYP3a4-sub | 0.13 |
CL | 11.054 |
T12 | 0.878 |
hERG | 0.088 |
Ames | 0.283 |
ROA | 0.925 |
SkinSen | 0.885 |
Carcinogencity | 0.063 |
EI | 0.181 |
Respiratory | 0.728 |
NR-Aromatase | 0.723 |
Antiviral | No |
Prediction | 0.768068 |