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

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Chemoinformaics analysis of PALLIDININE


Physiochemical Properties
Molecular Weight 329.396 nRot 2
Heavy Atom Molecular Weight 306.212 nRig 21
Exact Molecular Weight 329.163 nRing 4
Solubility: LogS -2.343 nHRing 1
Solubility: LogP 1.21 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 1
Base Count 1 No. of Aliphatic Carbocycles Rings 2
Atoms Count 47 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 24 No. of Aromatic Carbocycles 1
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 2 No. Saturated Carbocycles 0
No. of Hydrogen atom 23 No. of Saturated Hetero Cycles 1
No. of Carbon atom 19 No. of Saturated Rings 1
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 4 No. of Arom Bond 6
nHA 5 APOL 51.3742
nHD 1 BPOL 29.1238
Medicinal Chemistry Properties
QED 0.899
Synth 4.713
Natural Product Likeliness 2.242
NR-PPAR-gamma 0.004
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.142
Pgp-sub 0.004
HIA 0.019
CACO-2 -4.753
Distribution
MDCK 0.0000223
BBB 0.997
PPB 0.448034
VDSS 1.883
Metabolism
FU 0.606949
CYP1A2-inh 0.038
CYP1A2-sub 0.758
CYP2c19-inh 0.068
CYP2c19-sub 0.943
CYP2c9-inh 0.019
CYP2c9-sub 0.461
CYP2d6-inh 0.709
CYP2d6-sub 0.89
CYP3a4-inh 0.042
CYP3a4-sub 0.869
Excretion
CL 14.318
T12 0.728
Toxicity
hERG 0.343
Ames 0.011
ROA 0.498
SkinSen 0.789
Carcinogencity 0.474
EI 0.01
Respiratory 0.925
NR-Aromatase 0.053
Antiviral Prediction
Antiviral No
Prediction 0.526663
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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