Chemoinformaics analysis of RHAMNETIN-3-RHAMNOSIDE


Molecular Weight 462.407 nRot 4
Heavy Atom Molecular Weight 440.231 nRig 24
Exact Molecular Weight 462.116 nRing 4
Solubility: LogS -4.051 nHRing 2
Solubility: LogP 1.476 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 55 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 33 No. of Aromatic Carbocycles 2
nHetero 11 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 22 No. of Saturated Hetero Cycles 1
No. of Carbon atom 22 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 11 No. of Arom Bond 17
nHA 11 APOL 60.2314
nHD 6 BPOL 29.8826
QED 0.302
Synth 3.955
Natural Product Likeliness 1.965
NR-PPAR-gamma 0.96
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.013
Pgp-sub 0.87
HIA 0.515
CACO-2 -5.995
MDCK 0.0000111
BBB 0.013
PPB 0.874194
VDSS 0.872
FU 0.120467
CYP1A2-inh 0.083
CYP1A2-sub 0.216
CYP2c19-inh 0.021
CYP2c19-sub 0.061
CYP2c9-inh 0.051
CYP2c9-sub 0.666
CYP2d6-inh 0.144
CYP2d6-sub 0.243
CYP3a4-inh 0.062
CYP3a4-sub 0.035
CL 6.234
T12 0.719
hERG 0.009
Ames 0.808
ROA 0.068
SkinSen 0.093
Carcinogencity 0.098
EI 0.082
Respiratory 0.05
NR-Aromatase 0.911
Antiviral Yes
Prediction 0.89951