Chemoinformaics analysis of 2-(2,2-Dimethylhydrazino)-4-(5-nitro-2-furyl)thiazole


Molecular Weight 254.271 nRot 4
Heavy Atom Molecular Weight 244.191 nRig 6
Exact Molecular Weight 254.047 nRing 2
Solubility: LogS -3.927 nHRing 2
Solubility: LogP 3.764 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 27 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 17 No. of Aromatic Carbocycles 0
nHetero 8 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 10 No. of Saturated Hetero Cycles 0
No. of Carbon atom 9 No. of Saturated Rings 0
No. of Nitrogen atom 4 No. of Arom Atom 10
No. of Oxygen atom 3 No. of Arom Bond 10
nHA 7 APOL 31.4039
nHD 1 BPOL 17.6741
QED 0.586
Synth 2.453
Natural Product Likeliness 1.484
NR-PPAR-gamma 0.01
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0.827
Pgp-sub 0.002
HIA 0.005
CACO-2 -4.552
MDCK 0.0000202
BBB 0.699
PPB 0.9201
VDSS 0.663
FU 0.109569
CYP1A2-inh 0.909
CYP1A2-sub 0.938
CYP2c19-inh 0.714
CYP2c19-sub 0.56
CYP2c9-inh 0.379
CYP2c9-sub 0.668
CYP2d6-inh 0.599
CYP2d6-sub 0.336
CYP3a4-inh 0.072
CYP3a4-sub 0.27
CL 6.049
T12 0.572
hERG 0.019
Ames 0.028
ROA 0.316
SkinSen 0.632
Carcinogencity 0.438
EI 0.961
Respiratory 0.864
NR-Aromatase 0.037
Antiviral No
Prediction 0.749821