Chemoinformaics analysis of Furazane-3-carbohydrazide, 4-amino-N2-(2-chlorobenzylideno)-


Molecular Weight 265.66 nRot 3
Heavy Atom Molecular Weight 257.596 nRig 14
Exact Molecular Weight 265.037 nRing 2
Solubility: LogS -3.68 nHRing 1
Solubility: LogP 2.802 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 26 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 18 No. of Aromatic Carbocycles 1
nHetero 8 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 8 No. of Saturated Hetero Cycles 0
No. of Carbon atom 10 No. of Saturated Rings 0
No. of Nitrogen atom 5 No. of Arom Atom 11
No. of Oxygen atom 2 No. of Arom Bond 11
nHA 6 APOL 31.3183
nHD 2 BPOL 11.1397
QED 0.567
Synth 3.06
Natural Product Likeliness -1.823
NR-PPAR-gamma 0.005
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0
Pgp-sub 0.089
HIA 0.007
CACO-2 -5.334
MDCK 0.0000187
BBB 0.949
PPB 0.963344
VDSS 0.725
FU 0.037218
CYP1A2-inh 0.915
CYP1A2-sub 0.601
CYP2c19-inh 0.665
CYP2c19-sub 0.083
CYP2c9-inh 0.163
CYP2c9-sub 0.47
CYP2d6-inh 0.76
CYP2d6-sub 0.362
CYP3a4-inh 0.229
CYP3a4-sub 0.182
CL 2.031
T12 0.752
hERG 0.008
Ames 0.198
ROA 0.069
SkinSen 0.666
Carcinogencity 0.943
EI 0.721
Respiratory 0.983
NR-Aromatase 0.002
Antiviral No
Prediction 0.631358