Chemoinformaics analysis of Matricine
Molecular Weight | 306.358 | nRot | 1 |
Heavy Atom Molecular Weight | 284.182 | nRig | 17 |
Exact Molecular Weight | 306.147 | nRing | 3 |
Solubility: LogS | -1.918 | nHRing | 1 |
Solubility: LogP | 1.719 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 44 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 17 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 5 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 47.0694 |
nHD | 1 | BPOL | 27.2786 |
QED | 0.747 |
Synth | 4.757 |
Natural Product Likeliness | 3.205 |
NR-PPAR-gamma | 0.113 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.902 |
Pgp-sub | 0.005 |
HIA | 0.202 |
CACO-2 | -4.645 |
MDCK | 0.000035 |
BBB | 0.984 |
PPB | 0.36188 |
VDSS | 0.9 |
FU | 0.585676 |
CYP1A2-inh | 0.027 |
CYP1A2-sub | 0.08 |
CYP2c19-inh | 0.023 |
CYP2c19-sub | 0.754 |
CYP2c9-inh | 0.005 |
CYP2c9-sub | 0.068 |
CYP2d6-inh | 0.007 |
CYP2d6-sub | 0.079 |
CYP3a4-inh | 0.445 |
CYP3a4-sub | 0.539 |
CL | 8.805 |
T12 | 0.339 |
hERG | 0.014 |
Ames | 0.01 |
ROA | 0.619 |
SkinSen | 0.119 |
Carcinogencity | 0.213 |
EI | 0.02 |
Respiratory | 0.844 |
NR-Aromatase | 0.066 |
Antiviral | Yes |
Prediction | 0.798412 |