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

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Chemoinformaics analysis of Isogosferol


Physiochemical Properties
Molecular Weight 286.283 nRot 4
Heavy Atom Molecular Weight 272.171 nRig 17
Exact Molecular Weight 286.084 nRing 3
Solubility: LogS -3.575 nHRing 2
Solubility: LogP 2.22 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 35 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 21 No. of Aromatic Carbocycles 1
nHetero 5 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 14 No. of Saturated Hetero Cycles 0
No. of Carbon atom 16 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 13
No. of Oxygen atom 5 No. of Arom Bond 15
nHA 5 APOL 40.0651
nHD 1 BPOL 20.1209
Medicinal Chemistry Properties
QED 0.589
Synth 3.427
Natural Product Likeliness 1.877
NR-PPAR-gamma 0.613
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.004
Pgp-sub 0.043
HIA 0.015
CACO-2 -4.832
Distribution
MDCK 0.0000195
BBB 0.013
PPB 0.887232
VDSS 0.916
Metabolism
FU 0.120656
CYP1A2-inh 0.977
CYP1A2-sub 0.635
CYP2c19-inh 0.412
CYP2c19-sub 0.067
CYP2c9-inh 0.456
CYP2c9-sub 0.59
CYP2d6-inh 0.702
CYP2d6-sub 0.634
CYP3a4-inh 0.585
CYP3a4-sub 0.179
Excretion
CL 12.891
T12 0.589
Toxicity
hERG 0.029
Ames 0.191
ROA 0.156
SkinSen 0.105
Carcinogencity 0.911
EI 0.042
Respiratory 0.656
NR-Aromatase 0.818
Antiviral Prediction
Antiviral Yes
Prediction 0.800447
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A database of all the medicinal plants having PAN India presence.
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