Chemoinformaics analysis of N-[4-(ACRIDIN-9-YLAMINO)-3-METHOXYPHENYL]METHANESULFONAMIDE
Molecular Weight | 393.468 | nRot | 5 |
Heavy Atom Molecular Weight | 374.316 | nRig | 25 |
Exact Molecular Weight | 393.115 | nRing | 4 |
Solubility: LogS | -4.423 | nHRing | 1 |
Solubility: LogP | 3.402 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 4 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 47 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 28 | No. of Aromatic Carbocycles | 3 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 19 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 21 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 3 | No. of Arom Atom | 20 |
No. of Oxygen atom | 3 | No. of Arom Bond | 22 |
nHA | 5 | APOL | 56.3451 |
nHD | 2 | BPOL | 29.7329 |
QED | 0.515 |
Synth | 2.469 |
Natural Product Likeliness | -0.859 |
NR-PPAR-gamma | 0.102 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.618 |
Pgp-sub | 0.993 |
HIA | 0.008 |
CACO-2 | -5.743 |
MDCK | 0.00000872 |
BBB | 0.033 |
PPB | 0.972984 |
VDSS | 0.568 |
FU | 0.00882139 |
CYP1A2-inh | 0.992 |
CYP1A2-sub | 0.923 |
CYP2c19-inh | 0.952 |
CYP2c19-sub | 0.164 |
CYP2c9-inh | 0.907 |
CYP2c9-sub | 0.921 |
CYP2d6-inh | 0.937 |
CYP2d6-sub | 0.867 |
CYP3a4-inh | 0.903 |
CYP3a4-sub | 0.919 |
CL | 2.138 |
T12 | 0.274 |
hERG | 0.668 |
Ames | 0.94 |
ROA | 0.765 |
SkinSen | 0.753 |
Carcinogencity | 0.541 |
EI | 0.08 |
Respiratory | 0.97 |
NR-Aromatase | 0.014 |
Antiviral | Yes |
Prediction | 0.858864 |