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

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Chemoinformaics analysis of RUBIFOLIC-ACID


Physiochemical Properties
Molecular Weight 472.71 nRot 2
Heavy Atom Molecular Weight 424.326 nRig 27
Exact Molecular Weight 472.355 nRing 5
Solubility: LogS -4.216 nHRing 0
Solubility: LogP 4.859 No. of Aliphatic Rings 5
Acid Count 1 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 5
Atoms Count 82 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 34 No. of Aromatic Carbocycles 0
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 4
No. of Hydrogen atom 48 No. of Saturated Hetero Cycles 0
No. of Carbon atom 30 No. of Saturated Rings 4
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 4 No. of Arom Bond 0
nHA 3 APOL 85.3141
nHD 3 BPOL 49.0219
Medicinal Chemistry Properties
QED 0.427
Synth 4.849
Natural Product Likeliness 3.28
NR-PPAR-gamma 0.781
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0
HIA 0.018
CACO-2 -5.278
Distribution
MDCK 0.0000186
BBB 0.852
PPB 0.964519
VDSS 0.707
Metabolism
FU 0.0255242
CYP1A2-inh 0.005
CYP1A2-sub 0.369
CYP2c19-inh 0.008
CYP2c19-sub 0.927
CYP2c9-inh 0.099
CYP2c9-sub 0.565
CYP2d6-inh 0.001
CYP2d6-sub 0.242
CYP3a4-inh 0.128
CYP3a4-sub 0.33
Excretion
CL 3.258
T12 0.031
Toxicity
hERG 0.001
Ames 0.012
ROA 0.139
SkinSen 0.011
Carcinogencity 0.031
EI 0.075
Respiratory 0.961
NR-Aromatase 0.867
Antiviral Prediction
Antiviral No
Prediction 0.577062
OSADHI

A database of all the medicinal plants having PAN India presence.
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