Chemoinformaics analysis of Cis-5-Lycopene
Molecular Weight | 536.888 | nRot | 16 |
Heavy Atom Molecular Weight | 480.44 | nRig | 13 |
Exact Molecular Weight | 536.438 | nRing | 0 |
Solubility: LogS | -7.642 | nHRing | 0 |
Solubility: LogP | 11.072 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 96 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 40 | No. of Aromatic Carbocycles | 0 |
nHetero | 0 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 56 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 40 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 0 | No. of Arom Bond | 0 |
nHA | 0 | APOL | 104.14 |
nHD | 0 | BPOL | 56.1796 |
QED | 0.136 |
Synth | 3.566 |
Natural Product Likeliness | 1.083 |
NR-PPAR-gamma | 0.008 |
Lipinski | Rejected |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.998 |
Pgp-sub | 0.758 |
HIA | 0.02 |
CACO-2 | -5.708 |
MDCK | 0.0000117 |
BBB | 0.001 |
PPB | 0.994354 |
VDSS | 7.268 |
FU | 0.0541996 |
CYP1A2-inh | 0.266 |
CYP1A2-sub | 0.521 |
CYP2c19-inh | 0.057 |
CYP2c19-sub | 0.987 |
CYP2c9-inh | 0.026 |
CYP2c9-sub | 0.793 |
CYP2d6-inh | 0.229 |
CYP2d6-sub | 0.98 |
CYP3a4-inh | 0.018 |
CYP3a4-sub | 0.911 |
CL | -0.286 |
T12 | 0.137 |
hERG | 0.852 |
Ames | 0.393 |
ROA | 0.218 |
SkinSen | 0.997 |
Carcinogencity | 0.026 |
EI | 0.398 |
Respiratory | 0.113 |
NR-Aromatase | 0.025 |
Antiviral | No |
Prediction | 0.605144 |