Chemoinformaics analysis of RIBOTIDE-CIS-ZEATIN
Molecular Weight | 219.248 | nRot | 4 |
Heavy Atom Molecular Weight | 206.144 | nRig | 12 |
Exact Molecular Weight | 219.112 | nRing | 2 |
Solubility: LogS | -2.511 | nHRing | 2 |
Solubility: LogP | 0.605 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 29 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 16 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 13 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 10 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 5 | No. of Arom Atom | 9 |
No. of Oxygen atom | 1 | No. of Arom Bond | 10 |
nHA | 5 | APOL | 31.6703 |
nHD | 3 | BPOL | 17.6017 |
QED | 0.641 |
Synth | 3.932 |
Natural Product Likeliness | 1.075 |
NR-PPAR-gamma | 0.021 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.998 |
HIA | 0.01 |
CACO-2 | -4.927 |
MDCK | 0.00000381 |
BBB | 0.575 |
PPB | 0.352637 |
VDSS | 1.071 |
FU | 0.705263 |
CYP1A2-inh | 0.389 |
CYP1A2-sub | 0.129 |
CYP2c19-inh | 0.09 |
CYP2c19-sub | 0.057 |
CYP2c9-inh | 0.008 |
CYP2c9-sub | 0.32 |
CYP2d6-inh | 0.589 |
CYP2d6-sub | 0.022 |
CYP3a4-inh | 0.158 |
CYP3a4-sub | 0.395 |
CL | 9.85 |
T12 | 0.943 |
hERG | 0.026 |
Ames | 0.016 |
ROA | 0.985 |
SkinSen | 0.943 |
Carcinogencity | 0.019 |
EI | 0.945 |
Respiratory | 0.981 |
NR-Aromatase | 0.873 |
Antiviral | No |
Prediction | 0.682361 |