Chemoinformaics analysis of Kaempferol3-O- ?-D-glucopyranosid


Molecular Weight 448.38 nRot 4
Heavy Atom Molecular Weight 428.22 nRig 24
Exact Molecular Weight 448.101 nRing 4
Solubility: LogS -3.998 nHRing 2
Solubility: LogP 0.57 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 52 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 32 No. of Aromatic Carbocycles 2
nHetero 11 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 20 No. of Saturated Hetero Cycles 1
No. of Carbon atom 21 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 57.2279
nHD 7 BPOL 26.1401
QED 0.279
Synth 3.884
Natural Product Likeliness 2.073
NR-PPAR-gamma 0.595
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.012
Pgp-sub 0.225
HIA 0.293
CACO-2 -6.164
MDCK 0.00000907
BBB 0.025
PPB 0.907978
VDSS 0.916
FU 0.1098
CYP1A2-inh 0.234
CYP1A2-sub 0.042
CYP2c19-inh 0.024
CYP2c19-sub 0.051
CYP2c9-inh 0.053
CYP2c9-sub 0.575
CYP2d6-inh 0.306
CYP2d6-sub 0.173
CYP3a4-inh 0.101
CYP3a4-sub 0.017
CL 4.258
T12 0.888
hERG 0.194
Ames 0.808
ROA 0.078
SkinSen 0.514
Carcinogencity 0.061
EI 0.207
Respiratory 0.023
NR-Aromatase 0.875
Antiviral Yes
Prediction 0.89285