Chemoinformaics analysis of Loroglossin
Molecular Weight | 742.724 | nRot | 15 |
Heavy Atom Molecular Weight | 696.356 | nRig | 26 |
Exact Molecular Weight | 742.268 | nRing | 4 |
Solubility: LogS | -2.519 | nHRing | 2 |
Solubility: LogP | 0.239 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 98 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 52 | No. of Aromatic Carbocycles | 2 |
nHetero | 18 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 46 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 34 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 18 | No. of Arom Bond | 12 |
nHA | 18 | APOL | 101.888 |
nHD | 10 | BPOL | 58.2995 |
QED | 0.046 |
Synth | 5.126 |
Natural Product Likeliness | 0.748 |
NR-PPAR-gamma | 0.006 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.003 |
Pgp-sub | 0.993 |
HIA | 0.832 |
CACO-2 | -6.656 |
MDCK | 0.0000739 |
BBB | 0.13 |
PPB | 0.777654 |
VDSS | 0.48 |
FU | 0.103233 |
CYP1A2-inh | 0.025 |
CYP1A2-sub | 0.018 |
CYP2c19-inh | 0.011 |
CYP2c19-sub | 0.233 |
CYP2c9-inh | 0.002 |
CYP2c9-sub | 0.061 |
CYP2d6-inh | 0.007 |
CYP2d6-sub | 0.104 |
CYP3a4-inh | 0.012 |
CYP3a4-sub | 0.044 |
CL | 0.796 |
T12 | 0.628 |
hERG | 0.382 |
Ames | 0.112 |
ROA | 0.007 |
SkinSen | 0.035 |
Carcinogencity | 0.26 |
EI | 0.009 |
Respiratory | 0.004 |
NR-Aromatase | 0.884 |
Antiviral | Yes |
Prediction | 0.811095 |