Chemoinformaics analysis of Rosiridin
Molecular Weight | 332.393 | nRot | 7 |
Heavy Atom Molecular Weight | 304.169 | nRig | 8 |
Exact Molecular Weight | 332.184 | nRing | 1 |
Solubility: LogS | -1.563 | nHRing | 1 |
Solubility: LogP | 0.006 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 51 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 0 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 28 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 16 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 7 | No. of Arom Bond | 0 |
nHA | 7 | APOL | 51.0042 |
nHD | 5 | BPOL | 31.5618 |
QED | 0.397 |
Synth | 4.307 |
Natural Product Likeliness | 2.793 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.899 |
Pgp-sub | 0.991 |
HIA | 0.939 |
CACO-2 | -5.197 |
MDCK | 0.000244315 |
BBB | 0.217 |
PPB | 0.581551 |
VDSS | 0.58 |
FU | 0.323563 |
CYP1A2-inh | 0.024 |
CYP1A2-sub | 0.063 |
CYP2c19-inh | 0.011 |
CYP2c19-sub | 0.501 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.078 |
CYP2d6-inh | 0.005 |
CYP2d6-sub | 0.112 |
CYP3a4-inh | 0.008 |
CYP3a4-sub | 0.06 |
CL | 1.793 |
T12 | 0.825 |
hERG | 0.011 |
Ames | 0.039 |
ROA | 0.045 |
SkinSen | 0.625 |
Carcinogencity | 0.038 |
EI | 0.119 |
Respiratory | 0.04 |
NR-Aromatase | 0.006 |
Antiviral | Yes |
Prediction | 0.890632 |