Chemoinformaics analysis of CYANIDIN-3-RHAMNOSYLGLUCOSIDE


Molecular Weight 164.157 nRot 4
Heavy Atom Molecular Weight 152.061 nRig 1
Exact Molecular Weight 164.068 nRing 0
Solubility: LogS -0.015 nHRing 0
Solubility: LogP -2.017 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 23 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 11 No. of Aromatic Carbocycles 0
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 12 No. of Saturated Hetero Cycles 0
No. of Carbon atom 6 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 5 No. of Arom Bond 0
nHA 5 APOL 22.0315
nHD 4 BPOL 12.9065
QED 0.373
Synth 3.54
Natural Product Likeliness 1.515
NR-PPAR-gamma 0.003
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0.003
Pgp-sub 0.228
HIA 0.053
CACO-2 -5.135
MDCK 0.00268708
BBB 0.749
PPB 0.132676
VDSS 0.601
FU 0.760558
CYP1A2-inh 0.016
CYP1A2-sub 0.059
CYP2c19-inh 0.011
CYP2c19-sub 0.076
CYP2c9-inh 0.001
CYP2c9-sub 0.139
CYP2d6-inh 0.001
CYP2d6-sub 0.141
CYP3a4-inh 0.004
CYP3a4-sub 0.019
CL 2.139
T12 0.845
hERG 0.07
Ames 0.053
ROA 0.013
SkinSen 0.057
Carcinogencity 0.015
EI 0.079
Respiratory 0.012
NR-Aromatase 0.003
Antiviral No
Prediction 0.926511