Chemoinformaics analysis of 2-(2,4-DIMETHOXYPHENYL)-7-METHOXYCHROMEN-4-ONE


Molecular Weight 312.321 nRot 4
Heavy Atom Molecular Weight 296.193 nRig 18
Exact Molecular Weight 312.1 nRing 3
Solubility: LogS -5.567 nHRing 1
Solubility: LogP 3.741 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 39 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 23 No. of Aromatic Carbocycles 2
nHetero 5 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 16 No. of Saturated Hetero Cycles 0
No. of Carbon atom 18 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 5 No. of Arom Bond 17
nHA 5 APOL 44.7387
nHD 0 BPOL 23.8633
QED 0.738
Synth 1.993
Natural Product Likeliness 0.386
NR-PPAR-gamma 0.006
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.998
Pgp-sub 0.003
HIA 0.006
CACO-2 -4.653
MDCK 0.0000516
BBB 0.119
PPB 0.836515
VDSS 0.82
FU 0.116245
CYP1A2-inh 0.941
CYP1A2-sub 0.967
CYP2c19-inh 0.82
CYP2c19-sub 0.601
CYP2c9-inh 0.74
CYP2c9-sub 0.938
CYP2d6-inh 0.5
CYP2d6-sub 0.958
CYP3a4-inh 0.88
CYP3a4-sub 0.555
CL 6.048
T12 0.138
hERG 0.31
Ames 0.721
ROA 0.07
SkinSen 0.244
Carcinogencity 0.15
EI 0.786
Respiratory 0.393
NR-Aromatase 0.811
Antiviral Yes
Prediction 0.859025