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

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Chemoinformaics analysis of UGONIN C


Physiochemical Properties
Molecular Weight 368.385 nRot 2
Heavy Atom Molecular Weight 348.225 nRig 22
Exact Molecular Weight 368.126 nRing 4
Solubility: LogS -4.05 nHRing 2
Solubility: LogP 4.143 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 47 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 27 No. of Aromatic Carbocycles 2
nHetero 6 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 20 No. of Saturated Hetero Cycles 0
No. of Carbon atom 21 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 6 No. of Arom Bond 17
nHA 6 APOL 53.2179
nHD 2 BPOL 26.1401
Medicinal Chemistry Properties
QED 0.712
Synth 3.368
Natural Product Likeliness 2.146
NR-PPAR-gamma 0.961
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.954
Pgp-sub 0.001
HIA 0.01
CACO-2 -4.713
Distribution
MDCK 0.0000176
BBB 0.018
PPB 0.961362
VDSS 0.689
Metabolism
FU 0.052123
CYP1A2-inh 0.823
CYP1A2-sub 0.862
CYP2c19-inh 0.856
CYP2c19-sub 0.102
CYP2c9-inh 0.875
CYP2c9-sub 0.904
CYP2d6-inh 0.405
CYP2d6-sub 0.573
CYP3a4-inh 0.375
CYP3a4-sub 0.551
Excretion
CL 3.277
T12 0.527
Toxicity
hERG 0.01
Ames 0.569
ROA 0.341
SkinSen 0.327
Carcinogencity 0.391
EI 0.872
Respiratory 0.261
NR-Aromatase 0.98
Antiviral Prediction
Antiviral Yes
Prediction 0.751444
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A database of all the medicinal plants having PAN India presence.
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