Chemoinformaics analysis of 3-METHOXY-2-PROPAN-2-YLFURO[3,2-G]CHROMEN-7-ONE


Molecular Weight 258.273 nRot 2
Heavy Atom Molecular Weight 244.161 nRig 1
Exact Molecular Weight 258.089 nRing 3
Solubility: LogS -6.31 nHRing 2
Solubility: LogP 6.903 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 33 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 19 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 14 No. of Saturated Hetero Cycles 0
No. of Carbon atom 15 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 37.5931
nHD 0 BPOL 20.1209
QED 0.256
Synth 1.844
Natural Product Likeliness 0.77
NR-PPAR-gamma 0.547
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.001
Pgp-sub 0
HIA 0.003
CACO-2 -4.866
MDCK 0.000012
BBB 0.773
PPB 0.941308
VDSS 3.444
FU 0.0159146
CYP1A2-inh 0.223
CYP1A2-sub 0.193
CYP2c19-inh 0.367
CYP2c19-sub 0.062
CYP2c9-inh 0.122
CYP2c9-sub 0.941
CYP2d6-inh 0.348
CYP2d6-sub 0.094
CYP3a4-inh 0.23
CYP3a4-sub 0.042
CL 3.68
T12 0.127
hERG 0.388
Ames 0.02
ROA 0.017
SkinSen 0.977
Carcinogencity 0.114
EI 0.941
Respiratory 0.964
NR-Aromatase 0.153
Antiviral Yes
Prediction 0.702348