Chemoinformaics analysis of Dihydrorobinetin
Molecular Weight | 304.254 | nRot | 1 |
Heavy Atom Molecular Weight | 292.158 | nRig | 18 |
Exact Molecular Weight | 304.058 | nRing | 3 |
Solubility: LogS | -2.355 | nHRing | 1 |
Solubility: LogP | 0.291 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 34 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 2 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 15 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 7 | No. of Arom Bond | 12 |
nHA | 7 | APOL | 38.6655 |
nHD | 5 | BPOL | 14.6425 |
QED | 0.501 |
Synth | 3.594 |
Natural Product Likeliness | 1.414 |
NR-PPAR-gamma | 0.641 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.004 |
Pgp-sub | 0.017 |
HIA | 0.016 |
CACO-2 | -6.125 |
MDCK | 0.00000408 |
BBB | 0.021 |
PPB | 0.899702 |
VDSS | 0.605 |
FU | 0.124921 |
CYP1A2-inh | 0.033 |
CYP1A2-sub | 0.104 |
CYP2c19-inh | 0.024 |
CYP2c19-sub | 0.056 |
CYP2c9-inh | 0.296 |
CYP2c9-sub | 0.672 |
CYP2d6-inh | 0.047 |
CYP2d6-sub | 0.229 |
CYP3a4-inh | 0.128 |
CYP3a4-sub | 0.245 |
CL | 9.372 |
T12 | 0.862 |
hERG | 0.073 |
Ames | 0.323 |
ROA | 0.231 |
SkinSen | 0.95 |
Carcinogencity | 0.043 |
EI | 0.887 |
Respiratory | 0.306 |
NR-Aromatase | 0.446 |
Antiviral | Yes |
Prediction | 0.861198 |