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

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Chemoinformaics analysis of UREA


Physiochemical Properties
Molecular Weight 60.056 nRot 0
Heavy Atom Molecular Weight 56.024 nRig 1
Exact Molecular Weight 60.0324 nRing 0
Solubility: LogS 0.74 nHRing 0
Solubility: LogP -1.365 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 8 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 4 No. of Aromatic Carbocycles 0
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 4 No. of Saturated Hetero Cycles 0
No. of Carbon atom 1 No. of Saturated Rings 0
No. of Nitrogen atom 2 No. of Arom Atom 0
No. of Oxygen atom 1 No. of Arom Bond 0
nHA 1 APOL 7.33917
nHD 2 BPOL 3.74083
Medicinal Chemistry Properties
QED 0.371
Synth 1.932
Natural Product Likeliness -0.217
NR-PPAR-gamma 0.002
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.973
HIA 0.003
CACO-2 -5.084
Distribution
MDCK 0.00106871
BBB 0.974
PPB 0.0445648
VDSS 0.842
Metabolism
FU 0.875624
CYP1A2-inh 0.098
CYP1A2-sub 0.289
CYP2c19-inh 0.031
CYP2c19-sub 0.068
CYP2c9-inh 0.01
CYP2c9-sub 0.126
CYP2d6-inh 0.008
CYP2d6-sub 0.255
CYP3a4-inh 0.004
CYP3a4-sub 0.112
Excretion
CL 5.847
T12 0.272
Toxicity
hERG 0.017
Ames 0.071
ROA 0.02
SkinSen 0.297
Carcinogencity 0.117
EI 0.583
Respiratory 0.028
NR-Aromatase 0.004
Antiviral Prediction
Antiviral No
Prediction 0.914
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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