Chemoinformaics analysis of  Matteucinol-7-Rhamnoside


Molecular Weight 460.479 nRot 4
Heavy Atom Molecular Weight 432.255 nRig 24
Exact Molecular Weight 460.173 nRing 4
Solubility: LogS -3.833 nHRing 2
Solubility: LogP 3.562 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 61 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 33 No. of Aromatic Carbocycles 2
nHetero 9 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 28 No. of Saturated Hetero Cycles 1
No. of Carbon atom 24 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 9 No. of Arom Bond 12
nHA 9 APOL 65.9682
nHD 4 BPOL 35.9018
QED 0.54
Synth 4.123
Natural Product Likeliness 2.024
NR-PPAR-gamma 0.229
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.031
Pgp-sub 0.988
HIA 0.009
CACO-2 -5.877
MDCK 0.000013
BBB 0.092
PPB 0.945786
VDSS 1.018
FU 0.0510992
CYP1A2-inh 0.051
CYP1A2-sub 0.676
CYP2c19-inh 0.207
CYP2c19-sub 0.808
CYP2c9-inh 0.346
CYP2c9-sub 0.836
CYP2d6-inh 0.286
CYP2d6-sub 0.379
CYP3a4-inh 0.279
CYP3a4-sub 0.261
CL 5.645
T12 0.143
hERG 0.044
Ames 0.172
ROA 0.661
SkinSen 0.797
Carcinogencity 0.163
EI 0.073
Respiratory 0.597
NR-Aromatase 0.809
Antiviral Yes
Prediction 0.962476