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

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Chemoinformaics analysis of Salidroside


Physiochemical Properties
Molecular Weight 300.307 nRot 5
Heavy Atom Molecular Weight 280.147 nRig 2
Exact Molecular Weight 300.121 nRing 2
Solubility: LogS -0.189 nHRing 1
Solubility: LogP -2.195 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 41 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 21 No. of Aromatic Carbocycles 1
nHetero 7 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 20 No. of Saturated Hetero Cycles 1
No. of Carbon atom 14 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 6
No. of Oxygen atom 7 No. of Arom Bond 6
nHA 7 APOL 42.3299
nHD 5 BPOL 23.5361
Medicinal Chemistry Properties
QED 0.453
Synth 2.439
Natural Product Likeliness -0.329
NR-PPAR-gamma 0.004
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.001
Pgp-sub 0.024
HIA 0.012
CACO-2 -6.256
Distribution
MDCK 0.00371388
BBB 0.623
PPB 0.100537
VDSS 0.435
Metabolism
FU 0.85418
CYP1A2-inh 0.005
CYP1A2-sub 0.071
CYP2c19-inh 0.04
CYP2c19-sub 0.05
CYP2c9-inh 0.035
CYP2c9-sub 0.287
CYP2d6-inh 0.006
CYP2d6-sub 0.128
CYP3a4-inh 0.007
CYP3a4-sub 0.021
Excretion
CL 2.81
T12 0.874
Toxicity
hERG 0.012
Ames 0.01
ROA 0.007
SkinSen 0.29
Carcinogencity 0.01
EI 0.105
Respiratory 0.133
NR-Aromatase 0.006
Antiviral Prediction
Antiviral Yes
Prediction 0.834264
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