Chemoinformaics analysis of Furo[2,3-b]quinoline, 4,5-dimethoxy-


Molecular Weight 229.235 nRot 2
Heavy Atom Molecular Weight 218.147 nRig 15
Exact Molecular Weight 229.074 nRing 3
Solubility: LogS -3.486 nHRing 2
Solubility: LogP 2.925 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 28 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 17 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 11 No. of Saturated Hetero Cycles 0
No. of Carbon atom 13 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 13
No. of Oxygen atom 3 No. of Arom Bond 15
nHA 4 APOL 32.5507
nHD 0 BPOL 17.3833
QED 0.677
Synth 2.474
Natural Product Likeliness 0.618
NR-PPAR-gamma 0.92
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.002
Pgp-sub 0.001
HIA 0.015
CACO-2 -4.764
MDCK 0.0000313
BBB 0.649
PPB 0.883903
VDSS 0.402
FU 0.0688056
CYP1A2-inh 0.988
CYP1A2-sub 0.956
CYP2c19-inh 0.918
CYP2c19-sub 0.528
CYP2c9-inh 0.66
CYP2c9-sub 0.896
CYP2d6-inh 0.697
CYP2d6-sub 0.908
CYP3a4-inh 0.747
CYP3a4-sub 0.414
CL 7.62
T12 0.488
hERG 0.108
Ames 0.819
ROA 0.719
SkinSen 0.214
Carcinogencity 0.812
EI 0.252
Respiratory 0.939
NR-Aromatase 0.739
Antiviral Yes
Prediction 0.688192