Chemoinformaics analysis of hydrocortisone
Molecular Weight | 362.466 | nRot | 2 |
Heavy Atom Molecular Weight | 332.226 | nRig | 22 |
Exact Molecular Weight | 362.209 | nRing | 4 |
Solubility: LogS | -3.879 | nHRing | 0 |
Solubility: LogP | 1.661 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 56 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 3 |
No. of Hydrogen atom | 30 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 21 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 5 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 59.0838 |
nHD | 3 | BPOL | 31.8322 |
QED | 0.696 |
Synth | 4.351 |
Natural Product Likeliness | 2.408 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.562 |
Pgp-sub | 0.01 |
HIA | 0.235 |
CACO-2 | -4.832 |
MDCK | 0.0000248 |
BBB | 0.957 |
PPB | 0.851709 |
VDSS | 0.513 |
FU | 0.162043 |
CYP1A2-inh | 0.008 |
CYP1A2-sub | 0.775 |
CYP2c19-inh | 0.026 |
CYP2c19-sub | 0.845 |
CYP2c9-inh | 0.031 |
CYP2c9-sub | 0.262 |
CYP2d6-inh | 0.002 |
CYP2d6-sub | 0.161 |
CYP3a4-inh | 0.098 |
CYP3a4-sub | 0.917 |
CL | 3.748 |
T12 | 0.865 |
hERG | 0.044 |
Ames | 0.056 |
ROA | 0.091 |
SkinSen | 0.032 |
Carcinogencity | 0.18 |
EI | 0.01 |
Respiratory | 0.387 |
NR-Aromatase | 0.571 |
Antiviral | Yes |
Prediction | 0.526515 |