Chemoinformaics analysis of Magnesium tartrate


Molecular Weight 172.375 nRot 3
Heavy Atom Molecular Weight 168.343 nRig 2
Exact Molecular Weight 171.986 nRing 0
Solubility: LogS -0.407 nHRing 0
Solubility: LogP -1.688 No. of Aliphatic Rings 0
Acid Count 2 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 15 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 11 No. of Aromatic Carbocycles 0
nHetero 7 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 4 No. of Saturated Hetero Cycles 0
No. of Carbon atom 4 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 6 No. of Arom Bond 0
nHA 6 APOL 24.7592
nHD 2 BPOL 7.48483
QED 0.307
Synth 4.961
Natural Product Likeliness 0.102
NR-PPAR-gamma 0.007
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0.001
Pgp-sub 0.02
HIA 0.017
CACO-2 -5.521
MDCK 0.0018126
BBB 0.464
PPB 0.134966
VDSS 0.315
FU 0.791784
CYP1A2-inh 0.011
CYP1A2-sub 0.091
CYP2c19-inh 0.04
CYP2c19-sub 0.21
CYP2c9-inh 0.013
CYP2c9-sub 0.062
CYP2d6-inh 0.007
CYP2d6-sub 0.141
CYP3a4-inh 0.004
CYP3a4-sub 0.054
CL 1.832
T12 0.808
hERG 0.008
Ames 0.063
ROA 0.049
SkinSen 0.789
Carcinogencity 0.009
EI 0.988
Respiratory 0.942
NR-Aromatase 0.017
Antiviral Yes
Prediction 0.556321