Chemoinformaics analysis of DEHYDROARTEMISINIC-ACID


Molecular Weight 338.224 nRot 4
Heavy Atom Molecular Weight 328.144 nRig 14
Exact Molecular Weight 338.027 nRing 2
Solubility: LogS -2.139 nHRing 0
Solubility: LogP 1.086 No. of Aliphatic Rings 0
Acid Count 2 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 34 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 24 No. of Aromatic Carbocycles 2
nHetero 10 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 10 No. of Saturated Hetero Cycles 0
No. of Carbon atom 14 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 10 No. of Arom Bond 12
nHA 8 APOL 38.0679
nHD 7 BPOL 13.5041
QED 0.402
Synth 2.635
Natural Product Likeliness 1.087
NR-PPAR-gamma 0.268
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0
Pgp-sub 0.025
HIA 0.36
CACO-2 -6.344
MDCK 0.0000043
BBB 0.03
PPB 0.904041
VDSS 0.528
FU 0.121677
CYP1A2-inh 0.009
CYP1A2-sub 0.025
CYP2c19-inh 0.014
CYP2c19-sub 0.024
CYP2c9-inh 0.28
CYP2c9-sub 0.021
CYP2d6-inh 0.002
CYP2d6-sub 0.063
CYP3a4-inh 0.007
CYP3a4-sub 0.004
CL 3.206
T12 0.967
hERG 0.012
Ames 0.021
ROA 0.058
SkinSen 0.911
Carcinogencity 0.018
EI 0.852
Respiratory 0.197
NR-Aromatase 0.007
Antiviral Yes
Prediction 0.619446