Chemoinformaics analysis of Flemichin C
Molecular Weight | 186.298 | nRot | 1 |
Heavy Atom Molecular Weight | 168.154 | nRig | 18 |
Exact Molecular Weight | 186.141 | nRing | 2 |
Solubility: LogS | -4.963 | nHRing | 0 |
Solubility: LogP | 10.67 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 32 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 14 | No. of Aromatic Carbocycles | 0 |
nHetero | 0 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 14 | 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 | 35.3823 |
nHD | 0 | BPOL | 18.0577 |
QED | 0.044 |
Synth | 3.652 |
Natural Product Likeliness | 0.587 |
NR-PPAR-gamma | 0.691 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.906 |
Pgp-sub | 0 |
HIA | 0.003 |
CACO-2 | -5.042 |
MDCK | 0.00000992 |
BBB | 0.012 |
PPB | 1.02712 |
VDSS | 2.048 |
FU | 0.00410337 |
CYP1A2-inh | 0.039 |
CYP1A2-sub | 0.173 |
CYP2c19-inh | 0.406 |
CYP2c19-sub | 0.053 |
CYP2c9-inh | 0.112 |
CYP2c9-sub | 0.984 |
CYP2d6-inh | 0.311 |
CYP2d6-sub | 0.098 |
CYP3a4-inh | 0.457 |
CYP3a4-sub | 0.356 |
CL | 5.252 |
T12 | 0.025 |
hERG | 0.721 |
Ames | 0.033 |
ROA | 0.154 |
SkinSen | 0.956 |
Carcinogencity | 0.067 |
EI | 0.009 |
Respiratory | 0.69 |
NR-Aromatase | 0.396 |
Antiviral | Yes |
Prediction | 0.575479 |