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

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Chemoinformaics analysis of Furosin


Physiochemical Properties
Molecular Weight 650.454 nRot 3
Heavy Atom Molecular Weight 628.278 nRig 37
Exact Molecular Weight 650.076 nRing 6
Solubility: LogS -2.02 nHRing 3
Solubility: LogP 0.765 No. of Aliphatic Rings 4
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 68 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 46 No. of Aromatic Carbocycles 2
nHetero 19 No. of Aromatic Hetero Cycles 0
nBridge Head 2 No. Saturated Carbocycles 0
No. of Hydrogen atom 22 No. of Saturated Hetero Cycles 1
No. of Carbon atom 27 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 19 No. of Arom Bond 12
nHA 19 APOL 74.9974
nHD 10 BPOL 34.2226
Medicinal Chemistry Properties
QED 0.069
Synth 6.377
Natural Product Likeliness 1.881
NR-PPAR-gamma 0.01
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.111
Pgp-sub 0.854
HIA 0.962
CACO-2 -6.848
Distribution
MDCK 0.0000418
BBB 0.06
PPB 0.835247
VDSS 0.538
Metabolism
FU 0.165149
CYP1A2-inh 0.056
CYP1A2-sub 0.021
CYP2c19-inh 0.01
CYP2c19-sub 0.043
CYP2c9-inh 0.037
CYP2c9-sub 0.027
CYP2d6-inh 0.001
CYP2d6-sub 0.078
CYP3a4-inh 0.038
CYP3a4-sub 0.057
Excretion
CL 2.173
T12 0.866
Toxicity
hERG 0.053
Ames 0.331
ROA 0.002
SkinSen 0.388
Carcinogencity 0.021
EI 0.02
Respiratory 0.034
NR-Aromatase 0.416
Antiviral Prediction
Antiviral Yes
Prediction 0.626233
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A database of all the medicinal plants having PAN India presence.
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