Chemoinformaics analysis of Hygrine
Molecular Weight | 141.214 | nRot | 2 |
Heavy Atom Molecular Weight | 126.094 | nRig | 17 |
Exact Molecular Weight | 141.115 | nRing | 1 |
Solubility: LogS | -3.669 | nHRing | 1 |
Solubility: LogP | 3.86 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 25 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 10 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 15 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 8 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 25.2639 |
nHD | 0 | BPOL | 17.6261 |
QED | 0.309 |
Synth | 2.69 |
Natural Product Likeliness | 1.243 |
NR-PPAR-gamma | 0.918 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0 |
HIA | 0.977 |
CACO-2 | -5.253 |
MDCK | 0.00000529 |
BBB | 0.006 |
PPB | 0.981285 |
VDSS | 0.444 |
FU | 0.0477658 |
CYP1A2-inh | 0.95 |
CYP1A2-sub | 0.13 |
CYP2c19-inh | 0.045 |
CYP2c19-sub | 0.06 |
CYP2c9-inh | 0.495 |
CYP2c9-sub | 0.402 |
CYP2d6-inh | 0.569 |
CYP2d6-sub | 0.169 |
CYP3a4-inh | 0.136 |
CYP3a4-sub | 0.039 |
CL | 5.287 |
T12 | 0.748 |
hERG | 0.002 |
Ames | 0.663 |
ROA | 0.032 |
SkinSen | 0.951 |
Carcinogencity | 0.407 |
EI | 0.929 |
Respiratory | 0.894 |
NR-Aromatase | 0.62 |
Antiviral | No |
Prediction | 0.950414 |