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

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Chemoinformaics analysis of URIDYLIC ACID


Physiochemical Properties
Molecular Weight 324.182 nRot 4
Heavy Atom Molecular Weight 311.078 nRig 15
Exact Molecular Weight 324.036 nRing 2
Solubility: LogS -0.73 nHRing 2
Solubility: LogP -2.529 No. of Aliphatic Rings 1
Acid Count 2 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 34 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 21 No. of Aromatic Carbocycles 0
nHetero 12 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 13 No. of Saturated Hetero Cycles 1
No. of Carbon atom 9 No. of Saturated Rings 1
No. of Nitrogen atom 2 No. of Arom Atom 6
No. of Oxygen atom 9 No. of Arom Bond 6
nHA 8 APOL 36.7463
nHD 5 BPOL 29.2377
Medicinal Chemistry Properties
QED 0.435
Synth 4.682
Natural Product Likeliness 1.031
NR-PPAR-gamma 0.002
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0.008
HIA 0.977
CACO-2 -6.227
Distribution
MDCK 0.00063293
BBB 0.723
PPB 0.0780132
VDSS 0.28
Metabolism
FU 0.753138
CYP1A2-inh 0.001
CYP1A2-sub 0.068
CYP2c19-inh 0.03
CYP2c19-sub 0.032
CYP2c9-inh 0.001
CYP2c9-sub 0.336
CYP2d6-inh 0.045
CYP2d6-sub 0.094
CYP3a4-inh 0.003
CYP3a4-sub 0.006
Excretion
CL 1.777
T12 0.888
Toxicity
hERG 0.006
Ames 0.023
ROA 0.004
SkinSen 0.078
Carcinogencity 0.03
EI 0.009
Respiratory 0.065
NR-Aromatase 0.001
Antiviral Prediction
Antiviral Yes
Prediction 0.611999
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A database of all the medicinal plants having PAN India presence.
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