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

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Chemoinformaics analysis of BROUSSOFLAVONOL B


Physiochemical Properties
Molecular Weight 452.503 nRot 6
Heavy Atom Molecular Weight 424.279 nRig 20
Exact Molecular Weight 452.184 nRing 3
Solubility: LogS -3.159 nHRing 1
Solubility: LogP 6.123 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 61 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 33 No. of Aromatic Carbocycles 2
nHetero 7 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 28 No. of Saturated Hetero Cycles 0
No. of Carbon atom 26 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 7 No. of Arom Bond 17
nHA 7 APOL 67.7042
nHD 4 BPOL 32.4298
Medicinal Chemistry Properties
QED 0.295
Synth 3.146
Natural Product Likeliness 1.789
NR-PPAR-gamma 0.92
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.945
Pgp-sub 0.337
HIA 0.195
CACO-2 -4.909
Distribution
MDCK 0.0000117
BBB 0.001
PPB 0.850797
VDSS 0.761
Metabolism
FU 0.14092
CYP1A2-inh 0.32
CYP1A2-sub 0.202
CYP2c19-inh 0.531
CYP2c19-sub 0.056
CYP2c9-inh 0.822
CYP2c9-sub 0.716
CYP2d6-inh 0.199
CYP2d6-sub 0.177
CYP3a4-inh 0.108
CYP3a4-sub 0.062
Excretion
CL 8.806
T12 0.703
Toxicity
hERG 0.004
Ames 0.258
ROA 0.398
SkinSen 0.886
Carcinogencity 0.067
EI 0.75
Respiratory 0.154
NR-Aromatase 0.904
Antiviral Prediction
Antiviral Yes
Prediction 0.719281
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A database of all the medicinal plants having PAN India presence.
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