Chemoinformaics analysis of LYCOPERSICONOL
Molecular Weight | 334.5 | nRot | 1 |
Heavy Atom Molecular Weight | 300.228 | nRig | 21 |
Exact Molecular Weight | 334.251 | nRing | 4 |
Solubility: LogS | -4.416 | nHRing | 0 |
Solubility: LogP | 3.091 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 58 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 24 | No. of Aromatic Carbocycles | 0 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 4 |
No. of Hydrogen atom | 34 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 21 | No. of Saturated Rings | 4 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 60.147 |
nHD | 2 | BPOL | 34.977 |
QED | 0.771 |
Synth | 4.356 |
Natural Product Likeliness | 2.138 |
NR-PPAR-gamma | 0.039 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.066 |
HIA | 0.029 |
CACO-2 | -4.767 |
MDCK | 0.0000583 |
BBB | 0.853 |
PPB | 0.844463 |
VDSS | 1.372 |
FU | 0.111394 |
CYP1A2-inh | 0.05 |
CYP1A2-sub | 0.791 |
CYP2c19-inh | 0.043 |
CYP2c19-sub | 0.838 |
CYP2c9-inh | 0.239 |
CYP2c9-sub | 0.375 |
CYP2d6-inh | 0.001 |
CYP2d6-sub | 0.87 |
CYP3a4-inh | 0.068 |
CYP3a4-sub | 0.282 |
CL | 23.425 |
T12 | 0.178 |
hERG | 0.019 |
Ames | 0.016 |
ROA | 0.539 |
SkinSen | 0.833 |
Carcinogencity | 0.025 |
EI | 0.016 |
Respiratory | 0.635 |
NR-Aromatase | 0.009 |
Antiviral | Yes |
Prediction | 0.537931 |