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

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Chemoinformaics analysis of Thymidine


Physiochemical Properties
Molecular Weight 242.231 nRot 2
Heavy Atom Molecular Weight 228.119 nRig 13
Exact Molecular Weight 242.09 nRing 2
Solubility: LogS -0.83 nHRing 2
Solubility: LogP -1.108 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 31 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 17 No. of Aromatic Carbocycles 0
nHetero 7 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 14 No. of Saturated Hetero Cycles 1
No. of Carbon atom 10 No. of Saturated Rings 1
No. of Nitrogen atom 2 No. of Arom Atom 6
No. of Oxygen atom 5 No. of Arom Bond 6
nHA 6 APOL 32.2451
nHD 3 BPOL 19.7969
Medicinal Chemistry Properties
QED 0.584
Synth 3.376
Natural Product Likeliness 1.038
NR-PPAR-gamma 0.003
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0.026
HIA 0.677
CACO-2 -5.596
Distribution
MDCK 0.000694817
BBB 0.685
PPB 0.111465
VDSS 0.424
Metabolism
FU 0.787436
CYP1A2-inh 0.011
CYP1A2-sub 0.504
CYP2c19-inh 0.025
CYP2c19-sub 0.062
CYP2c9-inh 0.003
CYP2c9-sub 0.413
CYP2d6-inh 0.006
CYP2d6-sub 0.126
CYP3a4-inh 0.005
CYP3a4-sub 0.106
Excretion
CL 8.372
T12 0.858
Toxicity
hERG 0.007
Ames 0.017
ROA 0.012
SkinSen 0.049
Carcinogencity 0.027
EI 0.014
Respiratory 0.009
NR-Aromatase 0.005
Antiviral Prediction
Antiviral No
Prediction 0.975499
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A database of all the medicinal plants having PAN India presence.
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