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

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Chemoinformaics analysis of SALICAPRIN


Physiochemical Properties
Molecular Weight 594.522 nRot 8
Heavy Atom Molecular Weight 564.282 nRig 29
Exact Molecular Weight 594.158 nRing 5
Solubility: LogS -3.531 nHRing 3
Solubility: LogP -0.312 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 72 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 42 No. of Aromatic Carbocycles 2
nHetero 15 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 30 No. of Saturated Hetero Cycles 2
No. of Carbon atom 27 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 15 No. of Arom Bond 17
nHA 15 APOL 77.1238
nHD 8 BPOL 41.3802
Medicinal Chemistry Properties
QED 0.148
Synth 4.557
Natural Product Likeliness 1.726
NR-PPAR-gamma 0.911
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.001
Pgp-sub 0.983
HIA 0.973
CACO-2 -6.284
Distribution
MDCK 0.000102521
BBB 0.375
PPB 0.736018
VDSS 0.504
Metabolism
FU 0.211836
CYP1A2-inh 0.013
CYP1A2-sub 0.054
CYP2c19-inh 0.009
CYP2c19-sub 0.063
CYP2c9-inh 0.001
CYP2c9-sub 0.163
CYP2d6-inh 0.006
CYP2d6-sub 0.195
CYP3a4-inh 0.02
CYP3a4-sub 0.014
Excretion
CL 1.488
T12 0.388
Toxicity
hERG 0.019
Ames 0.708
ROA 0.029
SkinSen 0.032
Carcinogencity 0.574
EI 0.007
Respiratory 0.026
NR-Aromatase 0.923
Antiviral Prediction
Antiviral Yes
Prediction 0.822749
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A database of all the medicinal plants having PAN India presence.
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