Chemoinformaics analysis of 1-HYDROXY-3-METHOXY-10-METHYLACRIDONE


Molecular Weight 255.273 nRot 1
Heavy Atom Molecular Weight 242.169 nRig 17
Exact Molecular Weight 255.09 nRing 3
Solubility: LogS -3.864 nHRing 1
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 32 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 19 No. of Aromatic Carbocycles 2
nHetero 4 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 13 No. of Saturated Hetero Cycles 0
No. of Carbon atom 15 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 14
No. of Oxygen atom 3 No. of Arom Bond 16
nHA 4 APOL 37.2243
nHD 1 BPOL 17.3557
QED 0.679
Synth 2.108
Natural Product Likeliness 0.619
NR-PPAR-gamma 0.51
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.002
Pgp-sub 0.005
HIA 0.01
CACO-2 -4.835
MDCK 0.0000233
BBB 0.531
PPB 0.945751
VDSS 0.869
FU 0.0322294
CYP1A2-inh 0.985
CYP1A2-sub 0.952
CYP2c19-inh 0.831
CYP2c19-sub 0.4
CYP2c9-inh 0.669
CYP2c9-sub 0.937
CYP2d6-inh 0.757
CYP2d6-sub 0.907
CYP3a4-inh 0.391
CYP3a4-sub 0.201
CL 2.935
T12 0.291
hERG 0.024
Ames 0.849
ROA 0.071
SkinSen 0.611
Carcinogencity 0.895
EI 0.965
Respiratory 0.803
NR-Aromatase 0.218
Antiviral Yes
Prediction 0.650373