Chemoinformaics analysis of 6-HYDROXY-3,3-DIMETHYL-12H-PYRANO[2,3-C]ACRIDIN-7-ONE


Molecular Weight 293.322 nRot 0
Heavy Atom Molecular Weight 278.202 nRig 7
Exact Molecular Weight 293.105 nRing 4
Solubility: LogS -1.559 nHRing 2
Solubility: LogP 1.46 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 37 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 22 No. of Aromatic Carbocycles 2
nHetero 4 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 15 No. of Saturated Hetero Cycles 0
No. of Carbon atom 18 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 3 APOL 43.5679
nHD 2 BPOL 18.2221
QED 0.736
Synth 1.331
Natural Product Likeliness -0.135
NR-PPAR-gamma 0.968
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0
Pgp-sub 0.007
HIA 0.007
CACO-2 -4.786
MDCK 0.0000408
BBB 0.256
PPB 0.766659
VDSS 0.204
FU 0.114829
CYP1A2-inh 0.053
CYP1A2-sub 0.761
CYP2c19-inh 0.09
CYP2c19-sub 0.679
CYP2c9-inh 0.056
CYP2c9-sub 0.959
CYP2d6-inh 0.008
CYP2d6-sub 0.644
CYP3a4-inh 0.01
CYP3a4-sub 0.192
CL 10.353
T12 0.855
hERG 0.023
Ames 0.046
ROA 0.05
SkinSen 0.234
Carcinogencity 0.614
EI 0.972
Respiratory 0.035
NR-Aromatase 0.006
Antiviral Yes
Prediction 0.782439