Chemoinformaics analysis of 9(10H)-ACRIDINONE, 1-HYDROXY-


Molecular Weight 211.22 nRot 0
Heavy Atom Molecular Weight 202.148 nRig 17
Exact Molecular Weight 211.063 nRing 3
Solubility: LogS -3.646 nHRing 1
Solubility: LogP 2.679 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 25 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 16 No. of Aromatic Carbocycles 2
nHetero 3 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 9 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 14
No. of Oxygen atom 2 No. of Arom Bond 16
nHA 2 APOL 30.4151
nHD 2 BPOL 10.4669
QED 0.561
Synth 1.955
Natural Product Likeliness 0.635
NR-PPAR-gamma 0.815
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.004
Pgp-sub 0.002
HIA 0.017
CACO-2 -4.913
MDCK 0.0000113
BBB 0.657
PPB 0.912517
VDSS 0.501
FU 0.0513857
CYP1A2-inh 0.988
CYP1A2-sub 0.556
CYP2c19-inh 0.611
CYP2c19-sub 0.094
CYP2c9-inh 0.486
CYP2c9-sub 0.941
CYP2d6-inh 0.746
CYP2d6-sub 0.881
CYP3a4-inh 0.343
CYP3a4-sub 0.169
CL 2.038
T12 0.644
hERG 0.016
Ames 0.63
ROA 0.073
SkinSen 0.95
Carcinogencity 0.722
EI 0.994
Respiratory 0.977
NR-Aromatase 0.173
Antiviral Yes
Prediction 0.664399