Chemoinformaics analysis of 6-HYDROXY-7-METHOXY-4-PHENYLCHROMEN-2-ONE


Molecular Weight 268.268 nRot 2
Heavy Atom Molecular Weight 256.172 nRig 18
Exact Molecular Weight 268.074 nRing 3
Solubility: LogS -3.713 nHRing 1
Solubility: LogP 2.924 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 32 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 20 No. of Aromatic Carbocycles 2
nHetero 4 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 12 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 16
No. of Oxygen atom 4 No. of Arom Bond 17
nHA 4 APOL 37.9295
nHD 1 BPOL 16.3785
QED 0.725
Synth 1.949
Natural Product Likeliness 0.538
NR-PPAR-gamma 0.647
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.014
Pgp-sub 0.981
HIA 0.006
CACO-2 -4.797
MDCK 0.000021
BBB 0.201
PPB 0.965049
VDSS 0.508
FU 0.0260377
CYP1A2-inh 0.972
CYP1A2-sub 0.938
CYP2c19-inh 0.856
CYP2c19-sub 0.069
CYP2c9-inh 0.572
CYP2c9-sub 0.872
CYP2d6-inh 0.705
CYP2d6-sub 0.888
CYP3a4-inh 0.599
CYP3a4-sub 0.254
CL 10.524
T12 0.654
hERG 0.195
Ames 0.121
ROA 0.191
SkinSen 0.718
Carcinogencity 0.439
EI 0.953
Respiratory 0.284
NR-Aromatase 0.474
Antiviral Yes
Prediction 0.797114