Chemoinformaics analysis of ROBTEIN
Molecular Weight | 288.255 | nRot | 3 |
Heavy Atom Molecular Weight | 276.159 | nRig | 14 |
Exact Molecular Weight | 288.063 | nRing | 2 |
Solubility: LogS | -2.777 | nHRing | 0 |
Solubility: LogP | 2.29 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 33 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 2 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 15 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 6 | No. of Arom Bond | 12 |
nHA | 6 | APOL | 37.8635 |
nHD | 5 | BPOL | 12.9065 |
QED | 0.335 |
Synth | 2.422 |
Natural Product Likeliness | 0.968 |
NR-PPAR-gamma | 0.858 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.007 |
Pgp-sub | 0.02 |
HIA | 0.028 |
CACO-2 | -5.513 |
MDCK | 0.00000889 |
BBB | 0.016 |
PPB | 0.982517 |
VDSS | 0.462 |
FU | 0.0241006 |
CYP1A2-inh | 0.804 |
CYP1A2-sub | 0.101 |
CYP2c19-inh | 0.073 |
CYP2c19-sub | 0.044 |
CYP2c9-inh | 0.575 |
CYP2c9-sub | 0.561 |
CYP2d6-inh | 0.165 |
CYP2d6-sub | 0.309 |
CYP3a4-inh | 0.62 |
CYP3a4-sub | 0.105 |
CL | 15.181 |
T12 | 0.939 |
hERG | 0.163 |
Ames | 0.797 |
ROA | 0.27 |
SkinSen | 0.967 |
Carcinogencity | 0.367 |
EI | 0.938 |
Respiratory | 0.298 |
NR-Aromatase | 0.822 |
Antiviral | Yes |
Prediction | 0.757005 |