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

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Chemoinformaics analysis of Formocortal


Physiochemical Properties
Molecular Weight 569.066 nRot 7
Heavy Atom Molecular Weight 530.762 nRig 27
Exact Molecular Weight 568.224 nRing 5
Solubility: LogS -5.15 nHRing 1
Solubility: LogP 3.723 No. of Aliphatic Rings 5
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 4
Atoms Count 77 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 39 No. of Aromatic Carbocycles 0
nHetero 10 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 2
No. of Hydrogen atom 38 No. of Saturated Hetero Cycles 1
No. of Carbon atom 29 No. of Saturated Rings 3
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 8 No. of Arom Bond 0
nHA 8 APOL 82.9211
nHD 1 BPOL 49.2929
Medicinal Chemistry Properties
QED 0.279
Synth 5.332
Natural Product Likeliness 1.647
NR-PPAR-gamma 0.737
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.796
Pgp-sub 0.006
HIA 0.244
CACO-2 -5.17
Distribution
MDCK 0.0000232
BBB 0.999
PPB 0.77257
VDSS 1.329
Metabolism
FU 0.194473
CYP1A2-inh 0.006
CYP1A2-sub 0.241
CYP2c19-inh 0.169
CYP2c19-sub 0.906
CYP2c9-inh 0.099
CYP2c9-sub 0.064
CYP2d6-inh 0.004
CYP2d6-sub 0.121
CYP3a4-inh 0.802
CYP3a4-sub 0.916
Excretion
CL 9.681
T12 0.298
Toxicity
hERG 0.012
Ames 0.833
ROA 0.551
SkinSen 0.181
Carcinogencity 0.937
EI 0.008
Respiratory 0.971
NR-Aromatase 0.806
Antiviral Prediction
Antiviral Yes
Prediction 0.800513
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A database of all the medicinal plants having PAN India presence.
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