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

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Chemoinformaics analysis of Salicifoline


Physiochemical Properties
Molecular Weight 210.297 nRot 4
Heavy Atom Molecular Weight 190.137 nRig 6
Exact Molecular Weight 210.149 nRing 1
Solubility: LogS 0.64 nHRing 0
Solubility: LogP -1.659 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 1
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 35 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 15 No. of Aromatic Carbocycles 1
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 20 No. of Saturated Hetero Cycles 0
No. of Carbon atom 12 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 2 No. of Arom Bond 6
nHA 2 APOL 36.0799
nHD 1 BPOL 24.0801
Medicinal Chemistry Properties
QED 0.766
Synth 2.293
Natural Product Likeliness 1.143
NR-PPAR-gamma 0.004
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0.727
HIA 0.94
CACO-2 -5.552
Distribution
MDCK 0.00000765
BBB 0.274
PPB 0.194533
VDSS 1.329
Metabolism
FU 0.652042
CYP1A2-inh 0.021
CYP1A2-sub 0.947
CYP2c19-inh 0.023
CYP2c19-sub 0.055
CYP2c9-inh 0.001
CYP2c9-sub 0.528
CYP2d6-inh 0.021
CYP2d6-sub 0.934
CYP3a4-inh 0.007
CYP3a4-sub 0.117
Excretion
CL 6.113
T12 0.95
Toxicity
hERG 0.05
Ames 0.008
ROA 0.317
SkinSen 0.078
Carcinogencity 0.026
EI 0.097
Respiratory 0.89
NR-Aromatase 0.019
Antiviral Prediction
Antiviral Yes
Prediction 0.610458
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