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

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Chemoinformaics analysis of SENECIPHYLLINE


Physiochemical Properties
Molecular Weight 333.384 nRot 0
Heavy Atom Molecular Weight 310.2 nRig 23
Exact Molecular Weight 333.158 nRing 3
Solubility: LogS -2.488 nHRing 3
Solubility: LogP 1.562 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 47 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 24 No. of Aromatic Carbocycles 0
nHetero 6 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 23 No. of Saturated Hetero Cycles 2
No. of Carbon atom 18 No. of Saturated Rings 2
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 5 No. of Arom Bond 0
nHA 6 APOL 50.5062
nHD 1 BPOL 29.9918
Medicinal Chemistry Properties
QED 0.407
Synth 5.131
Natural Product Likeliness 2.861
NR-PPAR-gamma 0.013
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.002
Pgp-sub 0.001
HIA 0.066
CACO-2 -4.653
Distribution
MDCK 0.0000567
BBB 0.863
PPB 0.429754
VDSS 1.226
Metabolism
FU 0.691462
CYP1A2-inh 0.039
CYP1A2-sub 0.117
CYP2c19-inh 0.065
CYP2c19-sub 0.616
CYP2c9-inh 0.041
CYP2c9-sub 0.096
CYP2d6-inh 0.089
CYP2d6-sub 0.235
CYP3a4-inh 0.296
CYP3a4-sub 0.634
Excretion
CL 6.256
T12 0.459
Toxicity
hERG 0.013
Ames 0.426
ROA 0.938
SkinSen 0.237
Carcinogencity 0.946
EI 0.023
Respiratory 0.889
NR-Aromatase 0.018
Antiviral Prediction
Antiviral Yes
Prediction 0.759061
OSADHI

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

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