Chemoinformaics analysis of Formyl glutamine


Molecular Weight 230.22 nRot 5
Heavy Atom Molecular Weight 216.108 nRig 4
Exact Molecular Weight 230.09 nRing 0
Solubility: LogS -1.014 nHRing 0
Solubility: LogP -1.5 No. of Aliphatic Rings 0
Acid Count 1 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 30 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 16 No. of Aromatic Carbocycles 0
nHetero 7 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 14 No. of Saturated Hetero Cycles 0
No. of Carbon atom 9 No. of Saturated Rings 0
No. of Nitrogen atom 2 No. of Arom Atom 0
No. of Oxygen atom 5 No. of Arom Bond 0
nHA 4 APOL 30.5751
nHD 3 BPOL 18.6569
QED 0.561
Synth 2.492
Natural Product Likeliness -0.198
NR-PPAR-gamma 0.004
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.014
Pgp-sub 0.903
HIA 0.27
CACO-2 -6.073
MDCK 0.000471149
BBB 0.947
PPB 0.0939214
VDSS 0.237
FU 0.895138
CYP1A2-inh 0.002
CYP1A2-sub 0.07
CYP2c19-inh 0.03
CYP2c19-sub 0.046
CYP2c9-inh 0.013
CYP2c9-sub 0.39
CYP2d6-inh 0.021
CYP2d6-sub 0.096
CYP3a4-inh 0.005
CYP3a4-sub 0.019
CL 1.527
T12 0.845
hERG 0.007
Ames 0.039
ROA 0.001
SkinSen 0.128
Carcinogencity 0.011
EI 0.224
Respiratory 0.007
NR-Aromatase 0.006
Antiviral No
Prediction 0.930444