Chemoinformaics analysis of AVENANTHRAMIDE-C
Molecular Weight | 315.281 | nRot | 4 |
Heavy Atom Molecular Weight | 302.177 | nRig | 15 |
Exact Molecular Weight | 315.074 | nRing | 2 |
Solubility: LogS | -3.346 | nHRing | 0 |
Solubility: LogP | 2.202 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 36 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 2 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 13 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 16 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 12 |
No. of Oxygen atom | 6 | No. of Arom Bond | 12 |
nHA | 5 | APOL | 41.3003 |
nHD | 5 | BPOL | 15.3477 |
QED | 0.334 |
Synth | 2.179 |
Natural Product Likeliness | 0.234 |
NR-PPAR-gamma | 0.079 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.095 |
HIA | 0.035 |
CACO-2 | -5.908 |
MDCK | 0.00000614 |
BBB | 0.02 |
PPB | 0.964977 |
VDSS | 0.326 |
FU | 0.032677 |
CYP1A2-inh | 0.129 |
CYP1A2-sub | 0.052 |
CYP2c19-inh | 0.08 |
CYP2c19-sub | 0.039 |
CYP2c9-inh | 0.449 |
CYP2c9-sub | 0.284 |
CYP2d6-inh | 0.039 |
CYP2d6-sub | 0.152 |
CYP3a4-inh | 0.117 |
CYP3a4-sub | 0.038 |
CL | 8.553 |
T12 | 0.947 |
hERG | 0.061 |
Ames | 0.059 |
ROA | 0.164 |
SkinSen | 0.865 |
Carcinogencity | 0.187 |
EI | 0.25 |
Respiratory | 0.678 |
NR-Aromatase | 0.018 |
Antiviral | Yes |
Prediction | 0.828417 |