Chemoinformaics analysis of ISORHAMNETIN-3,7-DIGLUCOSIDE


Molecular Weight 640.547 nRot 8
Heavy Atom Molecular Weight 608.291 nRig 30
Exact Molecular Weight 640.164 nRing 5
Solubility: LogS -3.716 nHRing 3
Solubility: LogP -1.194 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 77 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 45 No. of Aromatic Carbocycles 2
nHetero 17 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 32 No. of Saturated Hetero Cycles 2
No. of Carbon atom 28 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 17 No. of Arom Bond 17
nHA 17 APOL 81.7314
nHD 10 BPOL 43.3866
QED 0.119
Synth 4.734
Natural Product Likeliness 1.546
NR-PPAR-gamma 0.849
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.001
Pgp-sub 0.991
HIA 0.94
CACO-2 -6.369
MDCK 0.000122781
BBB 0.396
PPB 0.685967
VDSS 0.623
FU 0.226659
CYP1A2-inh 0.012
CYP1A2-sub 0.028
CYP2c19-inh 0.003
CYP2c19-sub 0.064
CYP2c9-inh 0
CYP2c9-sub 0.165
CYP2d6-inh 0.003
CYP2d6-sub 0.173
CYP3a4-inh 0.005
CYP3a4-sub 0.003
CL 1.43
T12 0.402
hERG 0.016
Ames 0.678
ROA 0.028
SkinSen 0.011
Carcinogencity 0.223
EI 0.005
Respiratory 0.009
NR-Aromatase 0.817
Antiviral Yes
Prediction 0.807229