Chemoinformaics analysis of Igwhgimymcusqi-uhfffaoysa-


Molecular Weight 480.524 nRot 7
Heavy Atom Molecular Weight 456.332 nRig 31
Exact Molecular Weight 480.18 nRing 6
Solubility: LogS -5.845 nHRing 4
Solubility: LogP 3.971 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 6
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 60 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 36 No. of Aromatic Carbocycles 2
nHetero 8 No. of Aromatic Hetero Cycles 4
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 24 No. of Saturated Hetero Cycles 0
No. of Carbon atom 28 No. of Saturated Rings 0
No. of Nitrogen atom 4 No. of Arom Atom 26
No. of Oxygen atom 4 No. of Arom Bond 30
nHA 6 APOL 70.371
nHD 3 BPOL 31.837
QED 0.283
Synth 3.472
Natural Product Likeliness 0.385
NR-PPAR-gamma 0.85
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.32
Pgp-sub 0.005
HIA 0.166
CACO-2 -5.141
MDCK 0.00000729
BBB 0.08
PPB 0.934849
VDSS 0.43
FU 0.0769615
CYP1A2-inh 0.968
CYP1A2-sub 0.976
CYP2c19-inh 0.932
CYP2c19-sub 0.171
CYP2c9-inh 0.949
CYP2c9-sub 0.907
CYP2d6-inh 0.774
CYP2d6-sub 0.9
CYP3a4-inh 0.82
CYP3a4-sub 0.765
CL 4.445
T12 0.387
hERG 0.329
Ames 0.662
ROA 0.977
SkinSen 0.471
Carcinogencity 0.449
EI 0.025
Respiratory 0.99
NR-Aromatase 0.927
Antiviral Yes
Prediction 0.622505