Chemoinformaics analysis of Morphine
Molecular Weight | 285.343 | nRot | 0 |
Heavy Atom Molecular Weight | 266.191 | nRig | 22 |
Exact Molecular Weight | 285.137 | nRing | 5 |
Solubility: LogS | -2.277 | nHRing | 2 |
Solubility: LogP | 1.034 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 40 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 19 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 17 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 3 | No. of Arom Bond | 6 |
nHA | 4 | APOL | 44.5651 |
nHD | 2 | BPOL | 22.5069 |
QED | 0.703 |
Synth | 5.274 |
Natural Product Likeliness | 2.589 |
NR-PPAR-gamma | 0.007 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.002 |
HIA | 0.009 |
CACO-2 | -4.856 |
MDCK | 0.0000121 |
BBB | 0.998 |
PPB | 0.252322 |
VDSS | 2.928 |
FU | 0.722456 |
CYP1A2-inh | 0.081 |
CYP1A2-sub | 0.452 |
CYP2c19-inh | 0.018 |
CYP2c19-sub | 0.907 |
CYP2c9-inh | 0.008 |
CYP2c9-sub | 0.267 |
CYP2d6-inh | 0.749 |
CYP2d6-sub | 0.905 |
CYP3a4-inh | 0.015 |
CYP3a4-sub | 0.707 |
CL | 20.545 |
T12 | 0.418 |
hERG | 0.212 |
Ames | 0.019 |
ROA | 0.444 |
SkinSen | 0.808 |
Carcinogencity | 0.078 |
EI | 0.008 |
Respiratory | 0.804 |
NR-Aromatase | 0.005 |
Antiviral | Yes |
Prediction | 0.706223 |