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

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Chemoinformaics analysis of STRYCHNINE-SULFATE


Physiochemical Properties
Molecular Weight 766.917 nRot 0
Heavy Atom Molecular Weight 720.549 nRig 31
Exact Molecular Weight 766.304 nRing 14
Solubility: LogS -2.592 nHRing 10
Solubility: LogP 1.775 No. of Aliphatic Rings 12
Acid Count 2 No. of Aromatic Rings 2
Base Count 2 No. of Aliphatic Carbocycles Rings 2
Atoms Count 101 No. of Aliphatic Hetero Cycles 10
No. of Heavy Atom 55 No. of Aromatic Carbocycles 2
nHetero 13 No. of Aromatic Hetero Cycles 0
nBridge Head 4 No. Saturated Carbocycles 2
No. of Hydrogen atom 46 No. of Saturated Hetero Cycles 6
No. of Carbon atom 42 No. of Saturated Rings 8
No. of Nitrogen atom 4 No. of Arom Atom 12
No. of Oxygen atom 8 No. of Arom Bond 12
nHA 8 APOL 114.528
nHD 2 BPOL 64.8515
Medicinal Chemistry Properties
QED 0.681
Synth 5.723
Natural Product Likeliness 3.048
NR-PPAR-gamma 0.002
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.768
Pgp-sub 0.002
HIA 0.087
CACO-2 -4.684
Distribution
MDCK 0.0000554
BBB 0.992
PPB 0.55781
VDSS 2.18
Metabolism
FU 0.415819
CYP1A2-inh 0.021
CYP1A2-sub 0.672
CYP2c19-inh 0.065
CYP2c19-sub 0.936
CYP2c9-inh 0.06
CYP2c9-sub 0.419
CYP2d6-inh 0.036
CYP2d6-sub 0.572
CYP3a4-inh 0.184
CYP3a4-sub 0.918
Excretion
CL 17.303
T12 0.061
Toxicity
hERG 0.018
Ames 0.033
ROA 0.947
SkinSen 0.074
Carcinogencity 0.964
EI 0.009
Respiratory 0.882
NR-Aromatase 0.706
Antiviral Prediction
Antiviral Yes
Prediction 0.583427
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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