Chemoinformaics analysis of Styrene Oxyresveratrol


Molecular Weight 304.342 nRot 9
Heavy Atom Molecular Weight 284.182 nRig 10
Exact Molecular Weight 304.131 nRing 1
Solubility: LogS -2.475 nHRing 0
Solubility: LogP 1.315 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 42 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 22 No. of Aromatic Carbocycles 1
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 20 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 6
No. of Oxygen atom 5 No. of Arom Bond 6
nHA 5 APOL 45.7359
nHD 1 BPOL 24.4041
QED 0.43
Synth 3.379
Natural Product Likeliness 1.506
NR-PPAR-gamma 0.784
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.001
Pgp-sub 0.001
HIA 0.285
CACO-2 -4.599
MDCK 0.0000185
BBB 0.469
PPB 0.57752
VDSS 0.754
FU 0.575176
CYP1A2-inh 0.227
CYP1A2-sub 0.095
CYP2c19-inh 0.561
CYP2c19-sub 0.078
CYP2c9-inh 0.184
CYP2c9-sub 0.823
CYP2d6-inh 0.14
CYP2d6-sub 0.294
CYP3a4-inh 0.294
CYP3a4-sub 0.262
CL 12.24
T12 0.926
hERG 0.027
Ames 0.367
ROA 0.048
SkinSen 0.962
Carcinogencity 0.825
EI 0.975
Respiratory 0.781
NR-Aromatase 0.267
Antiviral Yes
Prediction 0.739511