Chemoinformaics analysis of TRICIN-7-O-BETA-D-GLUCOSIDE


Molecular Weight 492.433 nRot 6
Heavy Atom Molecular Weight 468.241 nRig 24
Exact Molecular Weight 492.127 nRing 4
Solubility: LogS -3.708 nHRing 2
Solubility: LogP 0.873 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 59 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 35 No. of Aromatic Carbocycles 2
nHetero 12 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 24 No. of Saturated Hetero Cycles 1
No. of Carbon atom 23 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 12 No. of Arom Bond 17
nHA 12 APOL 64.037
nHD 6 BPOL 33.625
QED 0.272
Synth 3.958
Natural Product Likeliness 1.812
NR-PPAR-gamma 0.955
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.009
Pgp-sub 0.982
HIA 0.877
CACO-2 -6.086
MDCK 0.0000508
BBB 0.129
PPB 0.727774
VDSS 0.989
FU 0.243492
CYP1A2-inh 0.033
CYP1A2-sub 0.481
CYP2c19-inh 0.013
CYP2c19-sub 0.131
CYP2c9-inh 0.006
CYP2c9-sub 0.362
CYP2d6-inh 0.022
CYP2d6-sub 0.297
CYP3a4-inh 0.032
CYP3a4-sub 0.032
CL 3.825
T12 0.641
hERG 0.058
Ames 0.609
ROA 0.021
SkinSen 0.123
Carcinogencity 0.076
EI 0.01
Respiratory 0.072
NR-Aromatase 0.871
Antiviral Yes
Prediction 0.887564