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

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Chemoinformaics analysis of 5-aminouracil


Physiochemical Properties
Molecular Weight 127.103 nRot 0
Heavy Atom Molecular Weight 122.063 nRig 8
Exact Molecular Weight 127.038 nRing 1
Solubility: LogS -2.24 nHRing 1
Solubility: LogP -1.512 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 14 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 9 No. of Aromatic Carbocycles 0
nHetero 5 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 5 No. of Saturated Hetero Cycles 0
No. of Carbon atom 4 No. of Saturated Rings 0
No. of Nitrogen atom 3 No. of Arom Atom 6
No. of Oxygen atom 2 No. of Arom Bond 6
nHA 3 APOL 14.918
nHD 3 BPOL 7.32203
Medicinal Chemistry Properties
QED 0.402
Synth 2.825
Natural Product Likeliness -0.33
NR-PPAR-gamma 0.002
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.78
HIA 0.966
CACO-2 -5.478
Distribution
MDCK 0.000180685
BBB 0.039
PPB 0.0911974
VDSS 0.514
Metabolism
FU 0.846124
CYP1A2-inh 0.018
CYP1A2-sub 0.965
CYP2c19-inh 0.047
CYP2c19-sub 0.054
CYP2c9-inh 0.015
CYP2c9-sub 0.106
CYP2d6-inh 0.005
CYP2d6-sub 0.058
CYP3a4-inh 0.007
CYP3a4-sub 0.136
Excretion
CL 6.466
T12 0.917
Toxicity
hERG 0.012
Ames 0.062
ROA 0.175
SkinSen 0.344
Carcinogencity 0.118
EI 0.875
Respiratory 0.055
NR-Aromatase 0.003
Antiviral Prediction
Antiviral No
Prediction 0.857582
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A database of all the medicinal plants having PAN India presence.
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