Chemoinformaics analysis of RIBOTIDE-TRANS-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