Chemoinformaics analysis of APIGENIN-7-(6-O-ALPHA-RHAMNOSYL-BETA-GLUCOSIDE)


Molecular Weight 578.523 nRot 6
Heavy Atom Molecular Weight 548.283 nRig 30
Exact Molecular Weight 578.164 nRing 5
Solubility: LogS -3.861 nHRing 3
Solubility: LogP -0.197 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 71 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 41 No. of Aromatic Carbocycles 2
nHetero 14 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 30 No. of Saturated Hetero Cycles 2
No. of Carbon atom 27 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 14 No. of Arom Bond 17
nHA 14 APOL 76.3218
nHD 8 BPOL 39.6442
QED 0.174
Synth 4.612
Natural Product Likeliness 1.837
NR-PPAR-gamma 0.945
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.001
Pgp-sub 0.981
HIA 0.928
CACO-2 -6.213
MDCK 0.0000639
BBB 0.169
PPB 0.799776
VDSS 0.613
FU 0.155365
CYP1A2-inh 0.013
CYP1A2-sub 0.036
CYP2c19-inh 0.016
CYP2c19-sub 0.061
CYP2c9-inh 0.002
CYP2c9-sub 0.556
CYP2d6-inh 0.007
CYP2d6-sub 0.182
CYP3a4-inh 0.009
CYP3a4-sub 0.009
CL 1.22
T12 0.244
hERG 0.039
Ames 0.674
ROA 0.028
SkinSen 0.028
Carcinogencity 0.752
EI 0.009
Respiratory 0.027
NR-Aromatase 0.935
Antiviral Yes
Prediction 0.856281