Chemoinformaics analysis of ERIODICTYOL-7-RHAMNOSIDE


Molecular Weight 434.397 nRot 3
Heavy Atom Molecular Weight 412.221 nRig 24
Exact Molecular Weight 434.121 nRing 4
Solubility: LogS -4.165 nHRing 2
Solubility: LogP 0.992 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 53 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 31 No. of Aromatic Carbocycles 2
nHetero 10 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 22 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 12
No. of Oxygen atom 10 No. of Arom Bond 12
nHA 10 APOL 57.7594
nHD 6 BPOL 28.1466
QED 0.379
Synth 4.127
Natural Product Likeliness 2.204
NR-PPAR-gamma 0.964
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.003
Pgp-sub 0.168
HIA 0.689
CACO-2 -6.405
MDCK 0.0000136
BBB 0.067
PPB 0.938044
VDSS 0.655
FU 0.0827595
CYP1A2-inh 0.037
CYP1A2-sub 0.07
CYP2c19-inh 0.041
CYP2c19-sub 0.065
CYP2c9-inh 0.042
CYP2c9-sub 0.614
CYP2d6-inh 0.194
CYP2d6-sub 0.24
CYP3a4-inh 0.09
CYP3a4-sub 0.125
CL 12.848
T12 0.336
hERG 0.013
Ames 0.642
ROA 0.36
SkinSen 0.385
Carcinogencity 0.891
EI 0.127
Respiratory 0.212
NR-Aromatase 0.19
Antiviral Yes
Prediction 0.691245