Chemoinformaics analysis of N-methyl- (CAS) Nmethylformamide Methylformamide


Molecular Weight 59.068 nRot 1
Heavy Atom Molecular Weight 54.028 nRig 1
Exact Molecular Weight 59.0371 nRing 0
Solubility: LogS 0.966 nHRing 0
Solubility: LogP -0.836 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 9 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 4 No. of Aromatic Carbocycles 0
nHetero 2 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 5 No. of Saturated Hetero Cycles 0
No. of Carbon atom 2 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 1 No. of Arom Bond 0
nHA 1 APOL 8.57596
nHD 1 BPOL 6.45403
QED 0.4
Synth 3.194
Natural Product Likeliness 0.554
NR-PPAR-gamma 0.002
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0
Pgp-sub 0.008
HIA 0.009
CACO-2 -4.694
MDCK 0.000668531
BBB 0.796
PPB 0.106701
VDSS 1.571
FU 0.899232
CYP1A2-inh 0.138
CYP1A2-sub 0.391
CYP2c19-inh 0.058
CYP2c19-sub 0.499
CYP2c9-inh 0.014
CYP2c9-sub 0.738
CYP2d6-inh 0.005
CYP2d6-sub 0.774
CYP3a4-inh 0.006
CYP3a4-sub 0.134
CL 4.999
T12 0.841
hERG 0.009
Ames 0.059
ROA 0.014
SkinSen 0.273
Carcinogencity 0.021
EI 0.584
Respiratory 0.176
NR-Aromatase 0.004
Antiviral No
Prediction 0.909667