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

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Chemoinformaics analysis of Sennoside


Physiochemical Properties
Molecular Weight 862.746 nRot 9
Heavy Atom Molecular Weight 824.442 nRig 46
Exact Molecular Weight 862.196 nRing 8
Solubility: LogS -4.638 nHRing 2
Solubility: LogP 2.491 No. of Aliphatic Rings 4
Acid Count 2 No. of Aromatic Rings 4
Base Count 0 No. of Aliphatic Carbocycles Rings 2
Atoms Count 100 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 62 No. of Aromatic Carbocycles 4
nHetero 20 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 38 No. of Saturated Hetero Cycles 2
No. of Carbon atom 42 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 24
No. of Oxygen atom 20 No. of Arom Bond 24
nHA 18 APOL 111.518
nHD 12 BPOL 48.5379
Medicinal Chemistry Properties
QED 0.088
Synth 5.249
Natural Product Likeliness 0.994
NR-PPAR-gamma 0.054
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.001
Pgp-sub 0.093
HIA 0.999
CACO-2 -7.032
Distribution
MDCK 0.0000024
BBB 0.012
PPB 0.816704
VDSS 0.766
Metabolism
FU 0.265459
CYP1A2-inh 0.115
CYP1A2-sub 0.009
CYP2c19-inh 0.008
CYP2c19-sub 0.03
CYP2c9-inh 0.011
CYP2c9-sub 0.01
CYP2d6-inh 0.001
CYP2d6-sub 0.041
CYP3a4-inh 0.001
CYP3a4-sub 0
Excretion
CL 0.86
T12 0.824
Toxicity
hERG 0.063
Ames 0.21
ROA 0
SkinSen 0.353
Carcinogencity 0.029
EI 0.017
Respiratory 0.017
NR-Aromatase 0.011
Antiviral Prediction
Antiviral Yes
Prediction 0.87959
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