Chemoinformaics analysis of 9-HYDROXY-4-METHOXYFURO[3,2-G]CHROMEN-7-ONE


Molecular Weight 232.191 nRot 1
Heavy Atom Molecular Weight 224.127 nRig 16
Exact Molecular Weight 232.037 nRing 3
Solubility: LogS -3.214 nHRing 2
Solubility: LogP 1.918 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 25 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 17 No. of Aromatic Carbocycles 1
nHetero 5 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 8 No. of Saturated Hetero Cycles 0
No. of Carbon atom 12 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 13
No. of Oxygen atom 5 No. of Arom Bond 15
nHA 5 APOL 29.3843
nHD 1 BPOL 14.1017
QED 0.651
Synth 2.686
Natural Product Likeliness 1.565
NR-PPAR-gamma 0.875
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.008
Pgp-sub 0.004
HIA 0.02
CACO-2 -4.872
MDCK 0.0000257
BBB 0.016
PPB 0.82208
VDSS 0.813
FU 0.153437
CYP1A2-inh 0.977
CYP1A2-sub 0.886
CYP2c19-inh 0.198
CYP2c19-sub 0.093
CYP2c9-inh 0.529
CYP2c9-sub 0.674
CYP2d6-inh 0.774
CYP2d6-sub 0.441
CYP3a4-inh 0.507
CYP3a4-sub 0.165
CL 13.542
T12 0.779
hERG 0.013
Ames 0.171
ROA 0.911
SkinSen 0.524
Carcinogencity 0.85
EI 0.21
Respiratory 0.787
NR-Aromatase 0.738
Antiviral No
Prediction 0.570988