Chemoinformaics analysis of DISTEMONANTHIN
Molecular Weight | 358.258 | nRot | 1 |
Heavy Atom Molecular Weight | 348.178 | nRig | 23 |
Exact Molecular Weight | 358.032 | nRing | 4 |
Solubility: LogS | -3.969 | nHRing | 2 |
Solubility: LogP | 1.74 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 4 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 36 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 2 |
nHetero | 9 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 10 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 17 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 18 |
No. of Oxygen atom | 9 | No. of Arom Bond | 21 |
nHA | 9 | APOL | 42.2759 |
nHD | 4 | BPOL | 16.9761 |
QED | 0.295 |
Synth | 3.187 |
Natural Product Likeliness | 1.299 |
NR-PPAR-gamma | 0.923 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.574 |
Pgp-sub | 0.012 |
HIA | 0.487 |
CACO-2 | -5.312 |
MDCK | 0.0000153 |
BBB | 0.004 |
PPB | 0.80085 |
VDSS | 0.691 |
FU | 0.305338 |
CYP1A2-inh | 0.86 |
CYP1A2-sub | 0.761 |
CYP2c19-inh | 0.02 |
CYP2c19-sub | 0.056 |
CYP2c9-inh | 0.629 |
CYP2c9-sub | 0.689 |
CYP2d6-inh | 0.022 |
CYP2d6-sub | 0.16 |
CYP3a4-inh | 0.107 |
CYP3a4-sub | 0.027 |
CL | 1.722 |
T12 | 0.725 |
hERG | 0.003 |
Ames | 0.317 |
ROA | 0.072 |
SkinSen | 0.891 |
Carcinogencity | 0.083 |
EI | 0.521 |
Respiratory | 0.048 |
NR-Aromatase | 0.836 |
Antiviral | Yes |
Prediction | 0.652139 |