Chemoinformaics analysis of  (+)-Magnesium-Lactate


Molecular Weight 202.445 nRot 2
Heavy Atom Molecular Weight 192.365 nRig 1
Exact Molecular Weight 202.033 nRing 0
Solubility: LogS 0.418 nHRing 0
Solubility: LogP -0.947 No. of Aliphatic Rings 0
Acid Count 2 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 23 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 13 No. of Aromatic Carbocycles 0
nHetero 7 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 6 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 32.0999
nHD 2 BPOL 13.5041
QED 0.388
Synth 3.728
Natural Product Likeliness 0.31
NR-PPAR-gamma 0.003
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0.001
Pgp-sub 0.099
HIA 0.006
CACO-2 -4.639
MDCK 0.0000969
BBB 0.441
PPB 0.102397
VDSS 0.72
FU 0.838173
CYP1A2-inh 0.03
CYP1A2-sub 0.496
CYP2c19-inh 0.032
CYP2c19-sub 0.742
CYP2c9-inh 0.009
CYP2c9-sub 0.366
CYP2d6-inh 0.006
CYP2d6-sub 0.397
CYP3a4-inh 0.005
CYP3a4-sub 0.104
CL 2.396
T12 0.871
hERG 0.014
Ames 0.54
ROA 0.149
SkinSen 0.828
Carcinogencity 0.175
EI 0.993
Respiratory 0.307
NR-Aromatase 0.006
Antiviral No
Prediction 0.921978