Chemoinformaics analysis of ANTHOCYANIDINS
Molecular Weight | 207.252 | nRot | 1 |
Heavy Atom Molecular Weight | 196.164 | nRig | 17 |
Exact Molecular Weight | 207.08 | nRing | 3 |
Solubility: LogS | -5.914 | nHRing | 1 |
Solubility: LogP | 4.672 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 27 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 16 | No. of Aromatic Carbocycles | 2 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 11 | 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 | 16 |
No. of Oxygen atom | 1 | No. of Arom Bond | 17 |
nHA | 0 | APOL | 33.1867 |
nHD | 0 | BPOL | 12.7713 |
QED | 0.539 |
Synth | 2.362 |
Natural Product Likeliness | 0.574 |
NR-PPAR-gamma | 0.015 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.46 |
Pgp-sub | 0.087 |
HIA | 0.004 |
CACO-2 | -4.582 |
MDCK | 0.0000154 |
BBB | 0.104 |
PPB | 0.986481 |
VDSS | 0.898 |
FU | 0.0188358 |
CYP1A2-inh | 0.991 |
CYP1A2-sub | 0.688 |
CYP2c19-inh | 0.821 |
CYP2c19-sub | 0.236 |
CYP2c9-inh | 0.391 |
CYP2c9-sub | 0.521 |
CYP2d6-inh | 0.807 |
CYP2d6-sub | 0.415 |
CYP3a4-inh | 0.114 |
CYP3a4-sub | 0.288 |
CL | 7.215 |
T12 | 0.213 |
hERG | 0.1 |
Ames | 0.634 |
ROA | 0.479 |
SkinSen | 0.179 |
Carcinogencity | 0.786 |
EI | 0.981 |
Respiratory | 0.04 |
NR-Aromatase | 0.136 |
Antiviral | No |
Prediction | 0.604168 |