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

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Chemoinformaics analysis of Texalin


Physiochemical Properties
Molecular Weight 266.256 nRot 2
Heavy Atom Molecular Weight 256.176 nRig 21
Exact Molecular Weight 266.069 nRing 4
Solubility: LogS -3.783 nHRing 3
Solubility: LogP 3.041 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 30 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 20 No. of Aromatic Carbocycles 1
nHetero 5 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 10 No. of Saturated Hetero Cycles 0
No. of Carbon atom 15 No. of Saturated Rings 0
No. of Nitrogen atom 2 No. of Arom Atom 17
No. of Oxygen atom 3 No. of Arom Bond 17
nHA 5 APOL 36.3239
nHD 0 BPOL 17.5201
Medicinal Chemistry Properties
QED 0.713
Synth 2.224
Natural Product Likeliness -0.831
NR-PPAR-gamma 0.01
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.995
Pgp-sub 0.001
HIA 0.003
CACO-2 -4.495
Distribution
MDCK 0.0000221
BBB 0.436
PPB 0.952087
VDSS 3.046
Metabolism
FU 0.0543028
CYP1A2-inh 0.993
CYP1A2-sub 0.143
CYP2c19-inh 0.957
CYP2c19-sub 0.064
CYP2c9-inh 0.535
CYP2c9-sub 0.868
CYP2d6-inh 0.985
CYP2d6-sub 0.861
CYP3a4-inh 0.966
CYP3a4-sub 0.171
Excretion
CL 12.661
T12 0.282
Toxicity
hERG 0.065
Ames 0.014
ROA 0.194
SkinSen 0.167
Carcinogencity 0.921
EI 0.063
Respiratory 0.385
NR-Aromatase 0.924
Antiviral Prediction
Antiviral Yes
Prediction 0.779632
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A database of all the medicinal plants having PAN India presence.
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