Chemoinformaics analysis of  Apigenin-7-Lactate


Molecular Weight 342.303 nRot 3
Heavy Atom Molecular Weight 328.191 nRig 19
Exact Molecular Weight 342.074 nRing 3
Solubility: LogS -3.801 nHRing 1
Solubility: LogP 2.467 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 39 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 25 No. of Aromatic Carbocycles 2
nHetero 7 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 14 No. of Saturated Hetero Cycles 0
No. of Carbon atom 18 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 7 No. of Arom Bond 17
nHA 7 APOL 45.0091
nHD 3 BPOL 19.2529
QED 0.622
Synth 3.104
Natural Product Likeliness 1.06
NR-PPAR-gamma 0.955
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.003
Pgp-sub 0.982
HIA 0.016
CACO-2 -4.956
MDCK 0.00000916
BBB 0.015
PPB 0.971711
VDSS 0.497
FU 0.0298669
CYP1A2-inh 0.944
CYP1A2-sub 0.386
CYP2c19-inh 0.518
CYP2c19-sub 0.059
CYP2c9-inh 0.589
CYP2c9-sub 0.929
CYP2d6-inh 0.556
CYP2d6-sub 0.804
CYP3a4-inh 0.541
CYP3a4-sub 0.171
CL 5.368
T12 0.862
hERG 0.025
Ames 0.333
ROA 0.056
SkinSen 0.648
Carcinogencity 0.278
EI 0.859
Respiratory 0.295
NR-Aromatase 0.916
Antiviral Yes
Prediction 0.787448