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

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Chemoinformaics analysis of Oblongi-Foliol


Physiochemical Properties
Molecular Weight 304.474 nRot 2
Heavy Atom Molecular Weight 272.218 nRig 17
Exact Molecular Weight 304.24 nRing 3
Solubility: LogS -3.843 nHRing 0
Solubility: LogP 3.768 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 3
Atoms Count 54 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 22 No. of Aromatic Carbocycles 0
nHetero 2 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 2
No. of Hydrogen atom 32 No. of Saturated Hetero Cycles 0
No. of Carbon atom 20 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 2 No. of Arom Bond 0
nHA 2 APOL 56.3414
nHD 2 BPOL 32.1026
Medicinal Chemistry Properties
QED 0.755
Synth 4.652
Natural Product Likeliness 3.696
NR-PPAR-gamma 0.04
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.22
Pgp-sub 0
HIA 0.008
CACO-2 -4.587
Distribution
MDCK 0.000018
BBB 0.933
PPB 0.883113
VDSS 1.073
Metabolism
FU 0.0918428
CYP1A2-inh 0.04
CYP1A2-sub 0.191
CYP2c19-inh 0.028
CYP2c19-sub 0.85
CYP2c9-inh 0.097
CYP2c9-sub 0.152
CYP2d6-inh 0.034
CYP2d6-sub 0.439
CYP3a4-inh 0.788
CYP3a4-sub 0.276
Excretion
CL 10.078
T12 0.113
Toxicity
hERG 0.003
Ames 0.017
ROA 0.053
SkinSen 0.032
Carcinogencity 0.099
EI 0.018
Respiratory 0.942
NR-Aromatase 0.483
Antiviral Prediction
Antiviral No
Prediction 0.528783
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A database of all the medicinal plants having PAN India presence.
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