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

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Chemoinformaics analysis of LUTEOFOROL


Physiochemical Properties
Molecular Weight 290.271 nRot 1
Heavy Atom Molecular Weight 276.159 nRig 17
Exact Molecular Weight 290.079 nRing 3
Solubility: LogS -3.274 nHRing 1
Solubility: LogP 1.079 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 35 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 21 No. of Aromatic Carbocycles 2
nHetero 6 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 14 No. of Saturated Hetero Cycles 0
No. of Carbon atom 15 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 6 No. of Arom Bond 12
nHA 6 APOL 39.1971
nHD 5 BPOL 15.7809
Medicinal Chemistry Properties
QED 0.514
Synth 3.461
Natural Product Likeliness 2.109
NR-PPAR-gamma 0.741
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.004
Pgp-sub 0.006
HIA 0.186
CACO-2 -5.635
Distribution
MDCK 0.00000498
BBB 0.024
PPB 0.867899
VDSS 0.588
Metabolism
FU 0.105117
CYP1A2-inh 0.253
CYP1A2-sub 0.351
CYP2c19-inh 0.094
CYP2c19-sub 0.058
CYP2c9-inh 0.526
CYP2c9-sub 0.925
CYP2d6-inh 0.224
CYP2d6-sub 0.48
CYP3a4-inh 0.181
CYP3a4-sub 0.264
Excretion
CL 17.691
T12 0.84
Toxicity
hERG 0.048
Ames 0.592
ROA 0.459
SkinSen 0.956
Carcinogencity 0.088
EI 0.915
Respiratory 0.206
NR-Aromatase 0.645
Antiviral Prediction
Antiviral Yes
Prediction 0.892233
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A database of all the medicinal plants having PAN India presence.
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