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

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Chemoinformaics analysis of FLORIDANINE


Physiochemical Properties
Molecular Weight 441.477 nRot 2
Heavy Atom Molecular Weight 410.229 nRig 22
Exact Molecular Weight 441.2 nRing 2
Solubility: LogS -1.613 nHRing 2
Solubility: LogP 0.773 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 62 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 31 No. of Aromatic Carbocycles 0
nHetero 10 No. of Aromatic Hetero Cycles 0
nBridge Head 2 No. Saturated Carbocycles 0
No. of Hydrogen atom 31 No. of Saturated Hetero Cycles 1
No. of Carbon atom 21 No. of Saturated Rings 1
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 9 No. of Arom Bond 0
nHA 10 APOL 64.0586
nHD 2 BPOL 41.4894
Medicinal Chemistry Properties
QED 0.435
Synth 5.985
Natural Product Likeliness 1.859
NR-PPAR-gamma 0.079
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.439
Pgp-sub 0.067
HIA 0.355
CACO-2 -5.334
Distribution
MDCK 0.000108817
BBB 0.13
PPB 0.227666
VDSS 0.656
Metabolism
FU 0.840464
CYP1A2-inh 0.011
CYP1A2-sub 0.093
CYP2c19-inh 0.019
CYP2c19-sub 0.691
CYP2c9-inh 0.007
CYP2c9-sub 0.089
CYP2d6-inh 0.012
CYP2d6-sub 0.341
CYP3a4-inh 0.061
CYP3a4-sub 0.434
Excretion
CL 2.51
T12 0.604
Toxicity
hERG 0.034
Ames 0.986
ROA 0.553
SkinSen 0.451
Carcinogencity 0.698
EI 0.014
Respiratory 0.04
NR-Aromatase 0.522
Antiviral Prediction
Antiviral Yes
Prediction 0.669426
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A database of all the medicinal plants having PAN India presence.
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