Chemoinformaics analysis of Dihydrozeatin riboside


Molecular Weight 353.379 nRot 7
Heavy Atom Molecular Weight 330.195 nRig 16
Exact Molecular Weight 353.17 nRing 3
Solubility: LogS -1.74 nHRing 3
Solubility: LogP -0.794 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 48 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 23 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 49.8962
nHD 5 BPOL 30.5098
QED 0.415
Synth 4.507
Natural Product Likeliness 1.378
NR-PPAR-gamma 0.014
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0
Pgp-sub 0.982
HIA 0.979
CACO-2 -5.379
MDCK 0.00000866
BBB 0.66
PPB 0.148211
VDSS 0.825
FU 0.724402
CYP1A2-inh 0.016
CYP1A2-sub 0.149
CYP2c19-inh 0.011
CYP2c19-sub 0.064
CYP2c9-inh 0.001
CYP2c9-sub 0.499
CYP2d6-inh 0.01
CYP2d6-sub 0.048
CYP3a4-inh 0.023
CYP3a4-sub 0.104
CL 9.17
T12 0.772
hERG 0.032
Ames 0.057
ROA 0.676
SkinSen 0.084
Carcinogencity 0.058
EI 0.009
Respiratory 0.863
NR-Aromatase 0.921
Antiviral No
Prediction 0.580966