Chemoinformaics analysis of Furo[2,3-h]quinoline


Molecular Weight 169.183 nRot 0
Heavy Atom Molecular Weight 162.127 nRig 18
Exact Molecular Weight 169.053 nRing 3
Solubility: LogS -3.335 nHRing 2
Solubility: LogP 2.374 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 20 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 13 No. of Aromatic Carbocycles 1
nHetero 2 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 7 No. of Saturated Hetero Cycles 0
No. of Carbon atom 11 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 13
No. of Oxygen atom 1 No. of Arom Bond 15
nHA 2 APOL 24.9396
nHD 0 BPOL 9.89845
QED 0.547
Synth 2.352
Natural Product Likeliness 0.673
NR-PPAR-gamma 0.088
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.007
Pgp-sub 0.002
HIA 0.01
CACO-2 -5.011
MDCK 0.0000175
BBB 0.039
PPB 0.990014
VDSS 0.501
FU 0.0126696
CYP1A2-inh 0.945
CYP1A2-sub 0.09
CYP2c19-inh 0.276
CYP2c19-sub 0.052
CYP2c9-inh 0.612
CYP2c9-sub 0.639
CYP2d6-inh 0.446
CYP2d6-sub 0.362
CYP3a4-inh 0.712
CYP3a4-sub 0.179
CL 11.1
T12 0.907
hERG 0.021
Ames 0.804
ROA 0.88
SkinSen 0.919
Carcinogencity 0.782
EI 0.95
Respiratory 0.143
NR-Aromatase 0.792
Antiviral No
Prediction 0.595563