Chemoinformaics analysis of Lycodine
Molecular Weight | 242.366 | nRot | 0 |
Heavy Atom Molecular Weight | 220.19 | nRig | 20 |
Exact Molecular Weight | 242.178 | nRing | 4 |
Solubility: LogS | -2.02 | nHRing | 2 |
Solubility: LogP | 2.705 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 40 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 18 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 2 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 16 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 6 |
No. of Oxygen atom | 0 | No. of Arom Bond | 6 |
nHA | 2 | APOL | 43.5894 |
nHD | 1 | BPOL | 23.7806 |
QED | 0.756 |
Synth | 4.84 |
Natural Product Likeliness | 1.442 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.997 |
HIA | 0.004 |
CACO-2 | -4.739 |
MDCK | 0.0000158 |
BBB | 0.951 |
PPB | 0.246501 |
VDSS | 3.053 |
FU | 0.630842 |
CYP1A2-inh | 0.129 |
CYP1A2-sub | 0.852 |
CYP2c19-inh | 0.304 |
CYP2c19-sub | 0.924 |
CYP2c9-inh | 0.058 |
CYP2c9-sub | 0.717 |
CYP2d6-inh | 0.28 |
CYP2d6-sub | 0.879 |
CYP3a4-inh | 0.451 |
CYP3a4-sub | 0.431 |
CL | 6.396 |
T12 | 0.508 |
hERG | 0.387 |
Ames | 0.189 |
ROA | 0.825 |
SkinSen | 0.947 |
Carcinogencity | 0.071 |
EI | 0.035 |
Respiratory | 0.969 |
NR-Aromatase | 0.057 |
Antiviral | Yes |
Prediction | 0.652513 |