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

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Chemoinformaics analysis of TECOMANINE


Physiochemical Properties
Molecular Weight 179.263 nRot 0
Heavy Atom Molecular Weight 162.127 nRig 11
Exact Molecular Weight 179.131 nRing 2
Solubility: LogS -0.995 nHRing 1
Solubility: LogP 1.238 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 1
Atoms Count 30 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 13 No. of Aromatic Carbocycles 0
nHetero 2 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 17 No. of Saturated Hetero Cycles 1
No. of Carbon atom 11 No. of Saturated Rings 1
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 1 No. of Arom Bond 0
nHA 2 APOL 31.6075
nHD 0 BPOL 19.6325
Medicinal Chemistry Properties
QED 0.525
Synth 4.09
Natural Product Likeliness 1.096
NR-PPAR-gamma 0.006
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.002
Pgp-sub 0.016
HIA 0.011
CACO-2 -4.602
Distribution
MDCK 0.0000142
BBB 0.996
PPB 0.409507
VDSS 2.134
Metabolism
FU 0.694313
CYP1A2-inh 0.039
CYP1A2-sub 0.142
CYP2c19-inh 0.025
CYP2c19-sub 0.953
CYP2c9-inh 0.006
CYP2c9-sub 0.186
CYP2d6-inh 0.033
CYP2d6-sub 0.858
CYP3a4-inh 0.008
CYP3a4-sub 0.709
Excretion
CL 17.432
T12 0.756
Toxicity
hERG 0.027
Ames 0.022
ROA 0.526
SkinSen 0.87
Carcinogencity 0.642
EI 0.195
Respiratory 0.901
NR-Aromatase 0.003
Antiviral Prediction
Antiviral No
Prediction 0.728609
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

Our Other Tools

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  • Aromatic–Aromatic Interactions Database (A2ID)
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