Chemoinformaics analysis of GLUCOSAMINE-SULFATE


Molecular Weight 277.251 nRot 5
Heavy Atom Molecular Weight 262.131 nRig 1
Exact Molecular Weight 277.047 nRing 0
Solubility: LogS -0.073 nHRing 0
Solubility: LogP -2.841 No. of Aliphatic Rings 0
Acid Count 2 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 32 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 17 No. of Aromatic Carbocycles 0
nHetero 11 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 15 No. of Saturated Hetero Cycles 0
No. of Carbon atom 6 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 9 No. of Arom Bond 0
nHA 8 APOL 31.2399
nHD 7 BPOL 22.0021
QED 0.28
Synth 4.182
Natural Product Likeliness 2.091
NR-PPAR-gamma 0.004
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0.002
Pgp-sub 0.172
HIA 0.79
CACO-2 -5.268
MDCK 0.00465902
BBB 0.161
PPB 0.246529
VDSS 0.555
FU 0.752902
CYP1A2-inh 0.006
CYP1A2-sub 0.024
CYP2c19-inh 0.012
CYP2c19-sub 0.057
CYP2c9-inh 0.001
CYP2c9-sub 0.076
CYP2d6-inh 0.002
CYP2d6-sub 0.143
CYP3a4-inh 0.005
CYP3a4-sub 0.02
CL 1.903
T12 0.748
hERG 0.104
Ames 0.084
ROA 0.017
SkinSen 0.137
Carcinogencity 0.007
EI 0.017
Respiratory 0.393
NR-Aromatase 0.003
Antiviral No
Prediction 0.766835