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

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Chemoinformaics analysis of Bauhinin


Physiochemical Properties
Molecular Weight 343.332 nRot 4
Heavy Atom Molecular Weight 322.164 nRig 14
Exact Molecular Weight 343.127 nRing 2
Solubility: LogS -0.72 nHRing 1
Solubility: LogP -0.899 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 45 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 24 No. of Aromatic Carbocycles 0
nHetero 9 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 21 No. of Saturated Hetero Cycles 1
No. of Carbon atom 15 No. of Saturated Rings 1
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 8 No. of Arom Bond 0
nHA 9 APOL 46.5687
nHD 5 BPOL 26.8453
Medicinal Chemistry Properties
QED 0.351
Synth 4.864
Natural Product Likeliness 2.55
NR-PPAR-gamma 0.197
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.036
Pgp-sub 0.208
HIA 0.951
CACO-2 -5.652
Distribution
MDCK 0.0000505
BBB 0.259
PPB 0.331955
VDSS 0.498
Metabolism
FU 0.435135
CYP1A2-inh 0.02
CYP1A2-sub 0.043
CYP2c19-inh 0.028
CYP2c19-sub 0.329
CYP2c9-inh 0.002
CYP2c9-sub 0.012
CYP2d6-inh 0.003
CYP2d6-sub 0.067
CYP3a4-inh 0.014
CYP3a4-sub 0.068
Excretion
CL 1.825
T12 0.817
Toxicity
hERG 0.009
Ames 0.882
ROA 0.517
SkinSen 0.851
Carcinogencity 0.719
EI 0.156
Respiratory 0.684
NR-Aromatase 0.864
Antiviral Prediction
Antiviral Yes
Prediction 0.705659
OSADHI

A database of all the medicinal plants having PAN India presence.
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