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

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Chemoinformaics analysis of Chamaechromone


Physiochemical Properties
Molecular Weight 542.496 nRot 6
Heavy Atom Molecular Weight 520.32 nRig 31
Exact Molecular Weight 542.121 nRing 5
Solubility: LogS -4.353 nHRing 1
Solubility: LogP 4.582 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 5
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 62 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 40 No. of Aromatic Carbocycles 4
nHetero 10 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 22 No. of Saturated Hetero Cycles 0
No. of Carbon atom 30 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 28
No. of Oxygen atom 10 No. of Arom Bond 29
nHA 10 APOL 72.7894
nHD 7 BPOL 25.5426
Medicinal Chemistry Properties
QED 0.15
Synth 3.624
Natural Product Likeliness 1.02
NR-PPAR-gamma 0.951
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.167
Pgp-sub 0.008
HIA 0.957
CACO-2 -5.855
Distribution
MDCK 0.00000465
BBB 0.001
PPB 0.965215
VDSS 0.193
Metabolism
FU 0.0324384
CYP1A2-inh 0.802
CYP1A2-sub 0.327
CYP2c19-inh 0.802
CYP2c19-sub 0.039
CYP2c9-inh 0.875
CYP2c9-sub 0.969
CYP2d6-inh 0.315
CYP2d6-sub 0.455
CYP3a4-inh 0.71
CYP3a4-sub 0.12
Excretion
CL 7.381
T12 0.586
Toxicity
hERG 0.081
Ames 0.353
ROA 0.451
SkinSen 0.949
Carcinogencity 0.078
EI 0.897
Respiratory 0.028
NR-Aromatase 0.907
Antiviral Prediction
Antiviral Yes
Prediction 0.669948
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A database of all the medicinal plants having PAN India presence.
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