Chemoinformaics analysis of NORANNUIC-ACID
Molecular Weight | 302.37 | nRot | 5 |
Heavy Atom Molecular Weight | 280.194 | nRig | 12 |
Exact Molecular Weight | 302.152 | nRing | 2 |
Solubility: LogS | -3.172 | nHRing | 0 |
Solubility: LogP | 3.441 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 44 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 18 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 4 | No. of Arom Bond | 12 |
nHA | 4 | APOL | 47.9374 |
nHD | 4 | BPOL | 22.0706 |
QED | 0.637 |
Synth | 3.027 |
Natural Product Likeliness | 0.688 |
NR-PPAR-gamma | 0.348 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.014 |
Pgp-sub | 0.003 |
HIA | 0.011 |
CACO-2 | -4.781 |
MDCK | 0.0000131 |
BBB | 0.031 |
PPB | 0.982077 |
VDSS | 0.811 |
FU | 0.0134464 |
CYP1A2-inh | 0.729 |
CYP1A2-sub | 0.884 |
CYP2c19-inh | 0.663 |
CYP2c19-sub | 0.065 |
CYP2c9-inh | 0.697 |
CYP2c9-sub | 0.901 |
CYP2d6-inh | 0.822 |
CYP2d6-sub | 0.861 |
CYP3a4-inh | 0.157 |
CYP3a4-sub | 0.398 |
CL | 24.056 |
T12 | 0.9 |
hERG | 0.011 |
Ames | 0.399 |
ROA | 0.273 |
SkinSen | 0.959 |
Carcinogencity | 0.241 |
EI | 0.949 |
Respiratory | 0.198 |
NR-Aromatase | 0.852 |
Antiviral | No |
Prediction | 0.608391 |