Chemoinformaics analysis of METHYL HYDRAZINE-1-CARBOHYDRAZONO THIOATE HYDROIODIDE


Molecular Weight 248.093 nRot 0
Heavy Atom Molecular Weight 239.021 nRig 1
Exact Molecular Weight 247.959 nRing 0
Solubility: LogS -1.683 nHRing 0
Solubility: LogP -0.365 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 2 No. of Aliphatic Carbocycles Rings 0
Atoms Count 17 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 8 No. of Aromatic Carbocycles 0
nHetero 6 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 2 No. of Saturated Rings 0
No. of Nitrogen atom 4 No. of Arom Atom 0
No. of Oxygen atom 0 No. of Arom Bond 0
nHA 4 APOL 21.9911
nHD 3 BPOL 13.4589
QED 0.166
Synth 4.101
Natural Product Likeliness -1.435
NR-PPAR-gamma 0.006
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0.001
Pgp-sub 0.003
HIA 0.008
CACO-2 -5.489
MDCK 0.00000387
BBB 0.828
PPB 0.165299
VDSS 1.201
FU 0.740382
CYP1A2-inh 0.96
CYP1A2-sub 0.537
CYP2c19-inh 0.139
CYP2c19-sub 0.467
CYP2c9-inh 0.036
CYP2c9-sub 0.116
CYP2d6-inh 0.083
CYP2d6-sub 0.102
CYP3a4-inh 0.433
CYP3a4-sub 0.241
CL 5.098
T12 0.795
hERG 0.007
Ames 0.839
ROA 0.954
SkinSen 0.775
Carcinogencity 0.176
EI 0.403
Respiratory 0.979
NR-Aromatase 0.009
Antiviral Yes
Prediction 0.564268