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

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Chemoinformaics analysis of CAMPESENIN


Physiochemical Properties
Molecular Weight 424.402 nRot 4
Heavy Atom Molecular Weight 400.21 nRig 22
Exact Molecular Weight 424.137 nRing 4
Solubility: LogS -2.578 nHRing 3
Solubility: LogP -0.281 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 54 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 30 No. of Aromatic Carbocycles 1
nHetero 10 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 24 No. of Saturated Hetero Cycles 1
No. of Carbon atom 20 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 10
No. of Oxygen atom 10 No. of Arom Bond 11
nHA 10 APOL 57.423
nHD 5 BPOL 31.889
Medicinal Chemistry Properties
QED 0.387
Synth 4.413
Natural Product Likeliness 2.499
NR-PPAR-gamma 0.477
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0.891
HIA 0.319
CACO-2 -5.724
Distribution
MDCK 0.000107565
BBB 0.468
PPB 0.474849
VDSS 0.685
Metabolism
FU 0.318413
CYP1A2-inh 0.025
CYP1A2-sub 0.071
CYP2c19-inh 0.007
CYP2c19-sub 0.42
CYP2c9-inh 0.002
CYP2c9-sub 0.387
CYP2d6-inh 0.01
CYP2d6-sub 0.202
CYP3a4-inh 0.005
CYP3a4-sub 0.051
Excretion
CL 2.105
T12 0.415
Toxicity
hERG 0.018
Ames 0.247
ROA 0.359
SkinSen 0.045
Carcinogencity 0.716
EI 0.006
Respiratory 0.007
NR-Aromatase 0.584
Antiviral Prediction
Antiviral Yes
Prediction 0.769345
OSADHI

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