Chemoinformaics analysis of ribofuranosyl-trans-zeatin


Molecular Weight 351.363 nRot 6
Heavy Atom Molecular Weight 330.195 nRig 17
Exact Molecular Weight 351.154 nRing 3
Solubility: LogS -1.593 nHRing 3
Solubility: LogP -0.697 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 46 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 25 No. of Aromatic Carbocycles 0
nHetero 10 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 21 No. of Saturated Hetero Cycles 1
No. of Carbon atom 15 No. of Saturated Rings 1
No. of Nitrogen atom 5 No. of Arom Atom 9
No. of Oxygen atom 5 No. of Arom Bond 10
nHA 10 APOL 48.5627
nHD 5 BPOL 28.5033
QED 0.399
Synth 4.554
Natural Product Likeliness 1.58
NR-PPAR-gamma 0.011
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.001
Pgp-sub 0.994
HIA 0.983
CACO-2 -5.59
MDCK 0.00000569
BBB 0.476
PPB 0.368469
VDSS 0.709
FU 0.701975
CYP1A2-inh 0.041
CYP1A2-sub 0.117
CYP2c19-inh 0.019
CYP2c19-sub 0.058
CYP2c9-inh 0.001
CYP2c9-sub 0.177
CYP2d6-inh 0.015
CYP2d6-sub 0.038
CYP3a4-inh 0.026
CYP3a4-sub 0.103
CL 6.141
T12 0.929
hERG 0.019
Ames 0.092
ROA 0.524
SkinSen 0.356
Carcinogencity 0.046
EI 0.023
Respiratory 0.622
NR-Aromatase 0.925
Antiviral Yes
Prediction 0.554677