Chemoinformaics analysis of RISHITIN
Molecular Weight | 222.328 | nRot | 1 |
Heavy Atom Molecular Weight | 200.152 | nRig | 12 |
Exact Molecular Weight | 222.162 | nRing | 2 |
Solubility: LogS | -2.655 | nHRing | 0 |
Solubility: LogP | 2.38 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 38 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 16 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 14 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 39.6534 |
nHD | 2 | BPOL | 22.0706 |
QED | 0.669 |
Synth | 4.441 |
Natural Product Likeliness | 2.527 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0.002 |
HIA | 0.035 |
CACO-2 | -4.579 |
MDCK | 0.0000124 |
BBB | 0.931 |
PPB | 0.758153 |
VDSS | 1.371 |
FU | 0.13488 |
CYP1A2-inh | 0.032 |
CYP1A2-sub | 0.314 |
CYP2c19-inh | 0.013 |
CYP2c19-sub | 0.571 |
CYP2c9-inh | 0.004 |
CYP2c9-sub | 0.522 |
CYP2d6-inh | 0.004 |
CYP2d6-sub | 0.849 |
CYP3a4-inh | 0.018 |
CYP3a4-sub | 0.265 |
CL | 11.443 |
T12 | 0.153 |
hERG | 0.015 |
Ames | 0.013 |
ROA | 0.041 |
SkinSen | 0.028 |
Carcinogencity | 0.917 |
EI | 0.028 |
Respiratory | 0.783 |
NR-Aromatase | 0.005 |
Antiviral | Yes |
Prediction | 0.905973 |