OSADHI - Online Structural and Analytics based Database for Herbs of India

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Chemoinformaics analysis of Dihydrofisetin


Physiochemical Properties
Molecular Weight 288.255 nRot 1
Heavy Atom Molecular Weight 276.159 nRig 18
Exact Molecular Weight 288.063 nRing 3
Solubility: LogS -2.662 nHRing 1
Solubility: LogP 0.788 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 33 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 21 No. of Aromatic Carbocycles 2
nHetero 6 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 12 No. of Saturated Hetero Cycles 0
No. of Carbon atom 15 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 6 No. of Arom Bond 12
nHA 6 APOL 37.8635
nHD 4 BPOL 14.6425
Medicinal Chemistry Properties
QED 0.593
Synth 3.414
Natural Product Likeliness 1.426
NR-PPAR-gamma 0.371
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.003
Pgp-sub 0.013
HIA 0.013
CACO-2 -5.516
Distribution
MDCK 0.0000042
BBB 0.033
PPB 0.873118
VDSS 0.796
Metabolism
FU 0.204097
CYP1A2-inh 0.052
CYP1A2-sub 0.115
CYP2c19-inh 0.043
CYP2c19-sub 0.063
CYP2c9-inh 0.297
CYP2c9-sub 0.924
CYP2d6-inh 0.118
CYP2d6-sub 0.476
CYP3a4-inh 0.205
CYP3a4-sub 0.294
Excretion
CL 9.569
T12 0.801
Toxicity
hERG 0.027
Ames 0.283
ROA 0.356
SkinSen 0.93
Carcinogencity 0.046
EI 0.881
Respiratory 0.384
NR-Aromatase 0.442
Antiviral Prediction
Antiviral Yes
Prediction 0.876108
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