Chemoinformaics analysis of 2-PHENYLFURO[2,3-H]CHROMEN-4-ONE


Molecular Weight 262.264 nRot 1
Heavy Atom Molecular Weight 252.184 nRig 22
Exact Molecular Weight 262.063 nRing 4
Solubility: LogS -6.172 nHRing 2
Solubility: LogP 4.368 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 4
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 30 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 20 No. of Aromatic Carbocycles 2
nHetero 3 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 10 No. of Saturated Hetero Cycles 0
No. of Carbon atom 17 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 19
No. of Oxygen atom 3 No. of Arom Bond 21
nHA 3 APOL 37.4639
nHD 0 BPOL 14.3721
QED 0.516
Synth 2.195
Natural Product Likeliness 0.742
NR-PPAR-gamma 0.414
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.904
Pgp-sub 0.591
HIA 0.006
CACO-2 -4.709
MDCK 0.0000203
BBB 0.01
PPB 0.958376
VDSS 1.163
FU 0.0445262
CYP1A2-inh 0.987
CYP1A2-sub 0.27
CYP2c19-inh 0.759
CYP2c19-sub 0.065
CYP2c9-inh 0.573
CYP2c9-sub 0.882
CYP2d6-inh 0.438
CYP2d6-sub 0.868
CYP3a4-inh 0.333
CYP3a4-sub 0.16
CL 4.584
T12 0.17
hERG 0.022
Ames 0.327
ROA 0.837
SkinSen 0.104
Carcinogencity 0.836
EI 0.849
Respiratory 0.807
NR-Aromatase 0.912
Antiviral Yes
Prediction 0.53481