Chemoinformaics analysis of N-Methoxy-N-methylacetamide


Molecular Weight 103.121 nRot 1
Heavy Atom Molecular Weight 94.049 nRig 1
Exact Molecular Weight 103.063 nRing 0
Solubility: LogS 0.817 nHRing 0
Solubility: LogP -0.342 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 16 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 7 No. of Aromatic Carbocycles 0
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 9 No. of Saturated Hetero Cycles 0
No. of Carbon atom 4 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 2 No. of Arom Bond 0
nHA 2 APOL 15.3851
nHD 0 BPOL 12.2029
QED 0.438
Synth 2.816
Natural Product Likeliness -0.849
NR-PPAR-gamma 0.003
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0
Pgp-sub 0.126
HIA 0.03
CACO-2 -4.307
MDCK 0.0000345
BBB 0.768
PPB 0.0754825
VDSS 0.813
FU 0.872962
CYP1A2-inh 0.02
CYP1A2-sub 0.819
CYP2c19-inh 0.023
CYP2c19-sub 0.589
CYP2c9-inh 0.005
CYP2c9-sub 0.232
CYP2d6-inh 0.006
CYP2d6-sub 0.247
CYP3a4-inh 0.004
CYP3a4-sub 0.263
CL 6.804
T12 0.821
hERG 0.008
Ames 0.684
ROA 0.16
SkinSen 0.247
Carcinogencity 0.904
EI 0.988
Respiratory 0.078
NR-Aromatase 0.007
Antiviral No
Prediction 0.943874