Chemoinformaics analysis of Norhyoscyamine
Molecular Weight | 275.348 | nRot | 4 |
Heavy Atom Molecular Weight | 254.18 | nRig | 16 |
Exact Molecular Weight | 275.152 | nRing | 3 |
Solubility: LogS | -1.636 | nHRing | 2 |
Solubility: LogP | 1.514 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 41 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 21 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 16 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 3 | No. of Arom Bond | 6 |
nHA | 4 | APOL | 44.2287 |
nHD | 2 | BPOL | 24.2413 |
QED | 0.819 |
Synth | 4.126 |
Natural Product Likeliness | 1.08 |
NR-PPAR-gamma | 0.109 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0.518 |
HIA | 0.231 |
CACO-2 | -4.749 |
MDCK | 0.0000391 |
BBB | 0.305 |
PPB | 0.164397 |
VDSS | 2.153 |
FU | 0.825566 |
CYP1A2-inh | 0.047 |
CYP1A2-sub | 0.114 |
CYP2c19-inh | 0.083 |
CYP2c19-sub | 0.315 |
CYP2c9-inh | 0.022 |
CYP2c9-sub | 0.446 |
CYP2d6-inh | 0.027 |
CYP2d6-sub | 0.674 |
CYP3a4-inh | 0.137 |
CYP3a4-sub | 0.418 |
CL | 6.636 |
T12 | 0.145 |
hERG | 0.657 |
Ames | 0.125 |
ROA | 0.051 |
SkinSen | 0.264 |
Carcinogencity | 0.07 |
EI | 0.011 |
Respiratory | 0.769 |
NR-Aromatase | 0.007 |
Antiviral | Yes |
Prediction | 0.781166 |