Chemoinformaics analysis of 7-METHOXY-4-PHENYL-2H-CHROMEN-6-OL


Molecular Weight 254.285 nRot 2
Heavy Atom Molecular Weight 240.173 nRig 17
Exact Molecular Weight 254.094 nRing 3
Solubility: LogS -3.961 nHRing 1
Solubility: LogP 3.214 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 33 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 19 No. of Aromatic Carbocycles 2
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 14 No. of Saturated Hetero Cycles 0
No. of Carbon atom 16 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 3 No. of Arom Bond 12
nHA 3 APOL 38.4611
nHD 1 BPOL 17.5169
QED 0.894
Synth 2.301
Natural Product Likeliness 1.42
NR-PPAR-gamma 0.136
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.38
Pgp-sub 0.815
HIA 0.005
CACO-2 -4.958
MDCK 0.0000156
BBB 0.362
PPB 0.968081
VDSS 0.884
FU 0.0300712
CYP1A2-inh 0.964
CYP1A2-sub 0.926
CYP2c19-inh 0.805
CYP2c19-sub 0.214
CYP2c9-inh 0.639
CYP2c9-sub 0.817
CYP2d6-inh 0.704
CYP2d6-sub 0.873
CYP3a4-inh 0.473
CYP3a4-sub 0.592
CL 11.901
T12 0.63
hERG 0.248
Ames 0.071
ROA 0.767
SkinSen 0.605
Carcinogencity 0.658
EI 0.013
Respiratory 0.444
NR-Aromatase 0.132
Antiviral No
Prediction 0.657452