Chemoinformaics analysis of Viscosin
Molecular Weight | 1126.4 | nRot | 27 |
Heavy Atom Molecular Weight | 1030.64 | nRig | 7 |
Exact Molecular Weight | 1125.69 | nRing | 1 |
Solubility: LogS | -2.927 | nHRing | 1 |
Solubility: LogP | 3.377 | No. of Aliphatic Rings | 1 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 174 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 79 | No. of Aromatic Carbocycles | 0 |
nHetero | 25 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 95 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 54 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 9 | No. of Arom Atom | 0 |
No. of Oxygen atom | 16 | No. of Arom Bond | 0 |
nHA | 15 | APOL | 176.257 |
nHD | 13 | BPOL | 111.719 |
QED | 0.528 |
Synth | 3.744 |
Natural Product Likeliness | 2.336 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.007 |
Pgp-sub | 0.002 |
HIA | 0.004 |
CACO-2 | -4.273 |
MDCK | 0.0000238 |
BBB | 0.725 |
PPB | 0.900025 |
VDSS | 1.333 |
FU | 0.0700066 |
CYP1A2-inh | 0.562 |
CYP1A2-sub | 0.782 |
CYP2c19-inh | 0.231 |
CYP2c19-sub | 0.899 |
CYP2c9-inh | 0.085 |
CYP2c9-sub | 0.301 |
CYP2d6-inh | 0.006 |
CYP2d6-sub | 0.212 |
CYP3a4-inh | 0.034 |
CYP3a4-sub | 0.366 |
CL | 13.673 |
T12 | 0.26 |
hERG | 0.018 |
Ames | 0.338 |
ROA | 0.015 |
SkinSen | 0.717 |
Carcinogencity | 0.403 |
EI | 0.958 |
Respiratory | 0.153 |
NR-Aromatase | 0.006 |
Antiviral | Yes |
Prediction | 0.636332 |