Chemoinformaics analysis of Cornigerine
Molecular Weight | 383.4 | nRot | 3 |
Heavy Atom Molecular Weight | 362.232 | nRig | 24 |
Exact Molecular Weight | 383.137 | nRing | 4 |
Solubility: LogS | -3.753 | nHRing | 1 |
Solubility: LogP | 1.138 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 49 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 28 | No. of Aromatic Carbocycles | 2 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 21 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 21 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 13 |
No. of Oxygen atom | 6 | No. of Arom Bond | 13 |
nHA | 6 | APOL | 54.9847 |
nHD | 1 | BPOL | 30.3173 |
QED | 0.877 |
Synth | 3.105 |
Natural Product Likeliness | 1.055 |
NR-PPAR-gamma | 0.166 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.366 |
Pgp-sub | 0.436 |
HIA | 0.002 |
CACO-2 | -4.701 |
MDCK | 0.0000192 |
BBB | 0.69 |
PPB | 0.70979 |
VDSS | 0.962 |
FU | 0.111138 |
CYP1A2-inh | 0.428 |
CYP1A2-sub | 0.928 |
CYP2c19-inh | 0.552 |
CYP2c19-sub | 0.767 |
CYP2c9-inh | 0.14 |
CYP2c9-sub | 0.709 |
CYP2d6-inh | 0.382 |
CYP2d6-sub | 0.397 |
CYP3a4-inh | 0.879 |
CYP3a4-sub | 0.796 |
CL | 1.882 |
T12 | 0.193 |
hERG | 0.036 |
Ames | 0.452 |
ROA | 0.027 |
SkinSen | 0.05 |
Carcinogencity | 0.769 |
EI | 0.008 |
Respiratory | 0.041 |
NR-Aromatase | 0.194 |
Antiviral | Yes |
Prediction | 0.805712 |