Chemoinformaics analysis of STRYCHNINE
Molecular Weight | 334.419 | nRot | 0 |
Heavy Atom Molecular Weight | 312.243 | nRig | 31 |
Exact Molecular Weight | 334.168 | nRing | 7 |
Solubility: LogS | -2.592 | nHRing | 5 |
Solubility: LogP | 1.775 | No. of Aliphatic Rings | 6 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 47 | No. of Aliphatic Hetero Cycles | 5 |
No. of Heavy Atom | 25 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 3 |
No. of Carbon atom | 21 | No. of Saturated Rings | 4 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 6 |
No. of Oxygen atom | 2 | No. of Arom Bond | 6 |
nHA | 3 | APOL | 53.5434 |
nHD | 0 | BPOL | 28.0946 |
QED | 0.681 |
Synth | 5.723 |
Natural Product Likeliness | 3.048 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.768 |
Pgp-sub | 0.002 |
HIA | 0.087 |
CACO-2 | -4.684 |
MDCK | 0.0000554 |
BBB | 0.992 |
PPB | 0.55781 |
VDSS | 2.18 |
FU | 0.415819 |
CYP1A2-inh | 0.021 |
CYP1A2-sub | 0.672 |
CYP2c19-inh | 0.065 |
CYP2c19-sub | 0.936 |
CYP2c9-inh | 0.06 |
CYP2c9-sub | 0.419 |
CYP2d6-inh | 0.036 |
CYP2d6-sub | 0.572 |
CYP3a4-inh | 0.184 |
CYP3a4-sub | 0.918 |
CL | 17.303 |
T12 | 0.061 |
hERG | 0.018 |
Ames | 0.033 |
ROA | 0.947 |
SkinSen | 0.074 |
Carcinogencity | 0.964 |
EI | 0.009 |
Respiratory | 0.882 |
NR-Aromatase | 0.706 |
Antiviral | Yes |
Prediction | 0.7221 |