Chemoinformaics analysis of Flavanthrinin
Molecular Weight | 240.258 | nRot | 1 |
Heavy Atom Molecular Weight | 228.162 | nRig | 16 |
Exact Molecular Weight | 240.079 | nRing | 3 |
Solubility: LogS | -3.742 | nHRing | 0 |
Solubility: LogP | 3.371 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 30 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 18 | No. of Aromatic Carbocycles | 3 |
nHetero | 3 | 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 | 14 |
No. of Oxygen atom | 3 | No. of Arom Bond | 16 |
nHA | 3 | APOL | 35.4575 |
nHD | 2 | BPOL | 13.7745 |
QED | 0.641 |
Synth | 2.155 |
Natural Product Likeliness | 1.164 |
NR-PPAR-gamma | 0.837 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.012 |
Pgp-sub | 0.111 |
HIA | 0.022 |
CACO-2 | -4.855 |
MDCK | 0.0000165 |
BBB | 0.045 |
PPB | 0.952874 |
VDSS | 0.786 |
FU | 0.0380209 |
CYP1A2-inh | 0.991 |
CYP1A2-sub | 0.812 |
CYP2c19-inh | 0.706 |
CYP2c19-sub | 0.07 |
CYP2c9-inh | 0.532 |
CYP2c9-sub | 0.957 |
CYP2d6-inh | 0.839 |
CYP2d6-sub | 0.92 |
CYP3a4-inh | 0.821 |
CYP3a4-sub | 0.153 |
CL | 12.869 |
T12 | 0.8 |
hERG | 0.082 |
Ames | 0.798 |
ROA | 0.117 |
SkinSen | 0.951 |
Carcinogencity | 0.741 |
EI | 0.987 |
Respiratory | 0.84 |
NR-Aromatase | 0.426 |
Antiviral | Yes |
Prediction | 0.674175 |