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

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Chemoinformaics analysis of tri-l-serine


Physiochemical Properties
Molecular Weight 279.249 nRot 8
Heavy Atom Molecular Weight 262.113 nRig 3
Exact Molecular Weight 279.107 nRing 0
Solubility: LogS -0.343 nHRing 0
Solubility: LogP -3.417 No. of Aliphatic Rings 0
Acid Count 1 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 36 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 19 No. of Aromatic Carbocycles 0
nHetero 10 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 17 No. of Saturated Hetero Cycles 0
No. of Carbon atom 9 No. of Saturated Rings 0
No. of Nitrogen atom 3 No. of Arom Atom 0
No. of Oxygen atom 7 No. of Arom Bond 0
nHA 7 APOL 35.2795
nHD 7 BPOL 20.2285
Medicinal Chemistry Properties
QED 0.123
Synth 4.84
Natural Product Likeliness 0.816
NR-PPAR-gamma 0.004
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.001
Pgp-sub 0.783
HIA 0.702
CACO-2 -6.109
Distribution
MDCK 0.00910214
BBB 0.029
PPB 0.380926
VDSS 0.719
Metabolism
FU 0.688943
CYP1A2-inh 0
CYP1A2-sub 0.012
CYP2c19-inh 0.018
CYP2c19-sub 0.047
CYP2c9-inh 0.004
CYP2c9-sub 0.049
CYP2d6-inh 0
CYP2d6-sub 0.07
CYP3a4-inh 0.003
CYP3a4-sub 0.006
Excretion
CL 1.804
T12 0.791
Toxicity
hERG 0.018
Ames 0.064
ROA 0.001
SkinSen 0.725
Carcinogencity 0.002
EI 0.013
Respiratory 0.824
NR-Aromatase 0.008
Antiviral Prediction
Antiviral No
Prediction 0.703908
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A database of all the medicinal plants having PAN India presence.
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