Chemoinformaics analysis of SULFANILIC-ACID
Molecular Weight | 173.193 | nRot | 1 |
Heavy Atom Molecular Weight | 166.137 | nRig | 8 |
Exact Molecular Weight | 173.015 | nRing | 1 |
Solubility: LogS | -1.224 | nHRing | 0 |
Solubility: LogP | -1.682 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 18 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 1 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 7 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 6 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 3 | No. of Arom Bond | 6 |
nHA | 3 | APOL | 21.0936 |
nHD | 2 | BPOL | 13.1084 |
QED | 0.479 |
Synth | 1.774 |
Natural Product Likeliness | -0.498 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.024 |
HIA | 0.193 |
CACO-2 | -5.422 |
MDCK | 0.000477393 |
BBB | 0.115 |
PPB | 0.3567 |
VDSS | 0.32 |
FU | 0.684432 |
CYP1A2-inh | 0.015 |
CYP1A2-sub | 0.125 |
CYP2c19-inh | 0.047 |
CYP2c19-sub | 0.094 |
CYP2c9-inh | 0.025 |
CYP2c9-sub | 0.845 |
CYP2d6-inh | 0.006 |
CYP2d6-sub | 0.538 |
CYP3a4-inh | 0.011 |
CYP3a4-sub | 0.069 |
CL | 3.345 |
T12 | 0.193 |
hERG | 0.05 |
Ames | 0.043 |
ROA | 0.014 |
SkinSen | 0.121 |
Carcinogencity | 0.101 |
EI | 0.984 |
Respiratory | 0.972 |
NR-Aromatase | 0.005 |
Antiviral | No |
Prediction | 0.859715 |