Chemoinformaics analysis of Kaempferol-7-O-Beta-D-Glucoside-O-Alpha-L-Rhamnosyl...Pl


Molecular Weight 594.522 nRot 6
Heavy Atom Molecular Weight 564.282 nRig 30
Exact Molecular Weight 594.158 nRing 5
Solubility: LogS -4.484 nHRing 3
Solubility: LogP 0.038 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 9 BPOL 39.6442
QED 0.154
Synth 4.653
Natural Product Likeliness 1.873
NR-PPAR-gamma 0.212
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.004
Pgp-sub 0.995
HIA 0.747
CACO-2 -6.445
MDCK 0.0000419
BBB 0.07
PPB 0.805987
VDSS 0.708
FU 0.128417
CYP1A2-inh 0.129
CYP1A2-sub 0.027
CYP2c19-inh 0.023
CYP2c19-sub 0.062
CYP2c9-inh 0.004
CYP2c9-sub 0.222
CYP2d6-inh 0.037
CYP2d6-sub 0.139
CYP3a4-inh 0.02
CYP3a4-sub 0.004
CL 1.168
T12 0.585
hERG 0.183
Ames 0.799
ROA 0.031
SkinSen 0.345
Carcinogencity 0.089
EI 0.041
Respiratory 0.017
NR-Aromatase 0.83
Antiviral Yes
Prediction 0.825868