Chemoinformaics analysis of N,N-Dimethyl-L-Tryptophan
Molecular Weight | 232.283 | nRot | 4 |
Heavy Atom Molecular Weight | 216.155 | nRig | 11 |
Exact Molecular Weight | 232.121 | nRing | 2 |
Solubility: LogS | -1.726 | nHRing | 1 |
Solubility: LogP | -0.264 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 2 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 33 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 17 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 13 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 9 |
No. of Oxygen atom | 2 | No. of Arom Bond | 10 |
nHA | 2 | APOL | 36.1827 |
nHD | 2 | BPOL | 19.1993 |
QED | 0.844 |
Synth | 2.537 |
Natural Product Likeliness | 0.229 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.005 |
HIA | 0.008 |
CACO-2 | -5.536 |
MDCK | 0.0000056 |
BBB | 0.922 |
PPB | 0.29322 |
VDSS | 1.37 |
FU | 0.74765 |
CYP1A2-inh | 0.092 |
CYP1A2-sub | 0.823 |
CYP2c19-inh | 0.047 |
CYP2c19-sub | 0.361 |
CYP2c9-inh | 0.017 |
CYP2c9-sub | 0.863 |
CYP2d6-inh | 0.09 |
CYP2d6-sub | 0.89 |
CYP3a4-inh | 0.006 |
CYP3a4-sub | 0.114 |
CL | 12.764 |
T12 | 0.868 |
hERG | 0.045 |
Ames | 0.005 |
ROA | 0.914 |
SkinSen | 0.169 |
Carcinogencity | 0.158 |
EI | 0.124 |
Respiratory | 0.285 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.707624 |