Chemoinformaics analysis of MARITIDINE
Molecular Weight | 287.359 | nRot | 2 |
Heavy Atom Molecular Weight | 266.191 | nRig | 19 |
Exact Molecular Weight | 287.152 | nRing | 4 |
Solubility: LogS | -1.435 | nHRing | 2 |
Solubility: LogP | 1.268 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 42 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 21 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 17 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 3 | No. of Arom Bond | 6 |
nHA | 4 | APOL | 45.8987 |
nHD | 1 | BPOL | 26.2493 |
QED | 0.843 |
Synth | 4.633 |
Natural Product Likeliness | 2.203 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.823 |
HIA | 0.274 |
CACO-2 | -4.551 |
MDCK | 0.0000178 |
BBB | 0.995 |
PPB | 0.289545 |
VDSS | 2.504 |
FU | 0.647845 |
CYP1A2-inh | 0.047 |
CYP1A2-sub | 0.834 |
CYP2c19-inh | 0.052 |
CYP2c19-sub | 0.923 |
CYP2c9-inh | 0.01 |
CYP2c9-sub | 0.508 |
CYP2d6-inh | 0.705 |
CYP2d6-sub | 0.897 |
CYP3a4-inh | 0.032 |
CYP3a4-sub | 0.827 |
CL | 9.087 |
T12 | 0.73 |
hERG | 0.033 |
Ames | 0.02 |
ROA | 0.219 |
SkinSen | 0.048 |
Carcinogencity | 0.251 |
EI | 0.01 |
Respiratory | 0.905 |
NR-Aromatase | 0.046 |
Antiviral | Yes |
Prediction | 0.778316 |