Chemoinformaics analysis of Coleon T
Molecular Weight | 362.422 | nRot | 1 |
Heavy Atom Molecular Weight | 336.214 | nRig | 18 |
Exact Molecular Weight | 362.173 | nRing | 3 |
Solubility: LogS | -3.831 | nHRing | 0 |
Solubility: LogP | 3.308 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 52 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 1 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 26 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 20 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 6 | No. of Arom Bond | 6 |
nHA | 6 | APOL | 55.5486 |
nHD | 4 | BPOL | 27.8194 |
QED | 0.347 |
Synth | 4.324 |
Natural Product Likeliness | 2.081 |
NR-PPAR-gamma | 0.968 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.119 |
Pgp-sub | 0.573 |
HIA | 0.022 |
CACO-2 | -4.976 |
MDCK | 0.0000124 |
BBB | 0.147 |
PPB | 0.992076 |
VDSS | 0.522 |
FU | 0.0250627 |
CYP1A2-inh | 0.224 |
CYP1A2-sub | 0.638 |
CYP2c19-inh | 0.032 |
CYP2c19-sub | 0.312 |
CYP2c9-inh | 0.507 |
CYP2c9-sub | 0.451 |
CYP2d6-inh | 0.105 |
CYP2d6-sub | 0.164 |
CYP3a4-inh | 0.135 |
CYP3a4-sub | 0.223 |
CL | 7.238 |
T12 | 0.186 |
hERG | 0.005 |
Ames | 0.21 |
ROA | 0.074 |
SkinSen | 0.9 |
Carcinogencity | 0.104 |
EI | 0.719 |
Respiratory | 0.967 |
NR-Aromatase | 0.89 |
Antiviral | No |
Prediction | 0.623812 |