Chemoinformaics analysis of RHAZIDINE
Molecular Weight | 299.438 | nRot | 1 |
Heavy Atom Molecular Weight | 272.222 | nRig | 23 |
Exact Molecular Weight | 299.212 | nRing | 5 |
Solubility: LogS | -1.97 | nHRing | 4 |
Solubility: LogP | 1.596 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 49 | No. of Aliphatic Hetero Cycles | 4 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 1 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 27 | No. of Saturated Hetero Cycles | 3 |
No. of Carbon atom | 19 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 6 |
No. of Oxygen atom | 1 | No. of Arom Bond | 6 |
nHA | 2 | APOL | 52.7354 |
nHD | 2 | BPOL | 29.9366 |
QED | 0.781 |
Synth | 6.141 |
Natural Product Likeliness | 1.283 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0.999 |
HIA | 0.933 |
CACO-2 | -5.548 |
MDCK | 0.0000274 |
BBB | 0.263 |
PPB | 0.369249 |
VDSS | 2.471 |
FU | 0.621361 |
CYP1A2-inh | 0.005 |
CYP1A2-sub | 0.489 |
CYP2c19-inh | 0.029 |
CYP2c19-sub | 0.593 |
CYP2c9-inh | 0.006 |
CYP2c9-sub | 0.105 |
CYP2d6-inh | 0.413 |
CYP2d6-sub | 0.26 |
CYP3a4-inh | 0.223 |
CYP3a4-sub | 0.935 |
CL | 11.861 |
T12 | 0.889 |
hERG | 0.005 |
Ames | 0.229 |
ROA | 0.775 |
SkinSen | 0.281 |
Carcinogencity | 0.861 |
EI | 0.043 |
Respiratory | 0.946 |
NR-Aromatase | 0.054 |
Antiviral | No |
Prediction | 0.712809 |