Chemoinformaics analysis of 6-METHOXYFURO[2,3-H]CHROMEN-2-ONE


Molecular Weight 216.192 nRot 1
Heavy Atom Molecular Weight 208.128 nRig 16
Exact Molecular Weight 216.042 nRing 3
Solubility: LogS -3.557 nHRing 2
Solubility: LogP 1.971 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 24 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 16 No. of Aromatic Carbocycles 1
nHetero 4 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 4 No. of Arom Bond 15
nHA 4 APOL 28.5823
nHD 0 BPOL 14.1017
QED 0.586
Synth 2.505
Natural Product Likeliness 1.324
NR-PPAR-gamma 0.177
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.005
Pgp-sub 0.018
HIA 0.009
CACO-2 -4.756
MDCK 0.0000319
BBB 0.049
PPB 0.796863
VDSS 0.917
FU 0.149143
CYP1A2-inh 0.988
CYP1A2-sub 0.905
CYP2c19-inh 0.547
CYP2c19-sub 0.095
CYP2c9-inh 0.273
CYP2c9-sub 0.809
CYP2d6-inh 0.803
CYP2d6-sub 0.785
CYP3a4-inh 0.805
CYP3a4-sub 0.2
CL 12.973
T12 0.759
hERG 0.008
Ames 0.308
ROA 0.382
SkinSen 0.185
Carcinogencity 0.906
EI 0.081
Respiratory 0.93
NR-Aromatase 0.778
Antiviral No
Prediction 0.629918