Chemoinformaics analysis of NARINGENIN-7-O-RUTINOSIDE


Molecular Weight 580.539 nRot 6
Heavy Atom Molecular Weight 548.283 nRig 30
Exact Molecular Weight 580.179 nRing 5
Solubility: LogS -3.453 nHRing 3
Solubility: LogP -0.591 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 73 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 41 No. of Aromatic Carbocycles 2
nHetero 14 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 32 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 12
No. of Oxygen atom 14 No. of Arom Bond 12
nHA 14 APOL 77.6554
nHD 8 BPOL 41.6506
QED 0.202
Synth 4.744
Natural Product Likeliness 2.011
NR-PPAR-gamma 0.954
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.001
Pgp-sub 0.983
HIA 0.922
CACO-2 -6.482
MDCK 0.0000755
BBB 0.244
PPB 0.813105
VDSS 0.389
FU 0.197473
CYP1A2-inh 0.003
CYP1A2-sub 0.027
CYP2c19-inh 0.017
CYP2c19-sub 0.163
CYP2c9-inh 0.001
CYP2c9-sub 0.799
CYP2d6-inh 0.01
CYP2d6-sub 0.204
CYP3a4-inh 0.011
CYP3a4-sub 0.042
CL 1.303
T12 0.179
hERG 0.017
Ames 0.418
ROA 0.128
SkinSen 0.032
Carcinogencity 0.822
EI 0.009
Respiratory 0.032
NR-Aromatase 0.469
Antiviral Yes
Prediction 0.84523