Chemoinformaics analysis of Uvidin A
Molecular Weight | 252.354 | nRot | 1 |
Heavy Atom Molecular Weight | 228.162 | nRig | 14 |
Exact Molecular Weight | 252.173 | nRing | 3 |
Solubility: LogS | -3.085 | nHRing | 1 |
Solubility: LogP | 2.887 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 42 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 18 | No. of Aromatic Carbocycles | 0 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 15 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 43.459 |
nHD | 1 | BPOL | 26.681 |
QED | 0.728 |
Synth | 4.744 |
Natural Product Likeliness | 3.087 |
NR-PPAR-gamma | 0.462 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0 |
HIA | 0.008 |
CACO-2 | -4.559 |
MDCK | 0.0000173 |
BBB | 0.989 |
PPB | 0.571243 |
VDSS | 1.509 |
FU | 0.594908 |
CYP1A2-inh | 0.033 |
CYP1A2-sub | 0.553 |
CYP2c19-inh | 0.023 |
CYP2c19-sub | 0.773 |
CYP2c9-inh | 0.111 |
CYP2c9-sub | 0.118 |
CYP2d6-inh | 0.004 |
CYP2d6-sub | 0.512 |
CYP3a4-inh | 0.037 |
CYP3a4-sub | 0.194 |
CL | 8.869 |
T12 | 0.609 |
hERG | 0.009 |
Ames | 0.141 |
ROA | 0.727 |
SkinSen | 0.422 |
Carcinogencity | 0.037 |
EI | 0.91 |
Respiratory | 0.945 |
NR-Aromatase | 0.766 |
Antiviral | Yes |
Prediction | 0.845674 |