Chemoinformaics analysis of  Isovitexin-7-O-Beta-D-Diglucoside


Molecular Weight 594.522 nRot 6
Heavy Atom Molecular Weight 564.282 nRig 30
Exact Molecular Weight 594.158 nRing 5
Solubility: LogS -3.489 nHRing 3
Solubility: LogP -0.893 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 72 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 42 No. of Aromatic Carbocycles 2
nHetero 15 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 30 No. of Saturated Hetero Cycles 2
No. of Carbon atom 27 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 15 No. of Arom Bond 17
nHA 15 APOL 77.1238
nHD 10 BPOL 37.9082
QED 0.142
Synth 4.717
Natural Product Likeliness 1.714
NR-PPAR-gamma 0.902
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.001
Pgp-sub 0.95
HIA 0.978
CACO-2 -6.334
MDCK 0.000116394
BBB 0.422
PPB 0.705659
VDSS 0.643
FU 0.285886
CYP1A2-inh 0.007
CYP1A2-sub 0.014
CYP2c19-inh 0.004
CYP2c19-sub 0.061
CYP2c9-inh 0
CYP2c9-sub 0.405
CYP2d6-inh 0.001
CYP2d6-sub 0.148
CYP3a4-inh 0.003
CYP3a4-sub 0.003
CL 1.207
T12 0.269
hERG 0.037
Ames 0.427
ROA 0.069
SkinSen 0.017
Carcinogencity 0.063
EI 0.004
Respiratory 0.012
NR-Aromatase 0.931
Antiviral Yes
Prediction 0.845801