Chemoinformaics analysis of 1-HYDROXY-10-METHYLACRIDONE


Molecular Weight 225.247 nRot 0
Heavy Atom Molecular Weight 214.159 nRig 17
Exact Molecular Weight 225.079 nRing 3
Solubility: LogS -3.71 nHRing 1
Solubility: LogP 2.681 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 2
nHetero 3 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 11 No. of Saturated Hetero Cycles 0
No. of Carbon atom 14 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 14
No. of Oxygen atom 2 No. of Arom Bond 16
nHA 3 APOL 33.4187
nHD 1 BPOL 13.6133
QED 0.597
Synth 1.999
Natural Product Likeliness 0.55
NR-PPAR-gamma 0.614
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.002
Pgp-sub 0.002
HIA 0.006
CACO-2 -4.805
MDCK 0.0000238
BBB 0.848
PPB 0.947779
VDSS 0.717
FU 0.0222189
CYP1A2-inh 0.986
CYP1A2-sub 0.828
CYP2c19-inh 0.81
CYP2c19-sub 0.247
CYP2c9-inh 0.584
CYP2c9-sub 0.923
CYP2d6-inh 0.74
CYP2d6-sub 0.842
CYP3a4-inh 0.225
CYP3a4-sub 0.21
CL 1.977
T12 0.326
hERG 0.011
Ames 0.892
ROA 0.076
SkinSen 0.795
Carcinogencity 0.925
EI 0.98
Respiratory 0.631
NR-Aromatase 0.048
Antiviral No
Prediction 0.617225