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

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Chemoinformaics analysis of HN-saponin F


Physiochemical Properties
Molecular Weight 766.966 nRot 6
Heavy Atom Molecular Weight 700.438 nRig 39
Exact Molecular Weight 766.45 nRing 7
Solubility: LogS -3.053 nHRing 2
Solubility: LogP 2.523 No. of Aliphatic Rings 7
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 5
Atoms Count 120 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 54 No. of Aromatic Carbocycles 0
nHetero 13 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 4
No. of Hydrogen atom 66 No. of Saturated Hetero Cycles 2
No. of Carbon atom 41 No. of Saturated Rings 6
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 13 No. of Arom Bond 0
nHA 13 APOL 122.904
nHD 8 BPOL 74.0237
Medicinal Chemistry Properties
QED 0.11
Synth 5.797
Natural Product Likeliness 2.794
NR-PPAR-gamma 0.7
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.121
Pgp-sub 0.002
HIA 0.894
CACO-2 -5.335
Distribution
MDCK 0.000047
BBB 0.061
PPB 0.892655
VDSS 0.616
Metabolism
FU 0.0823307
CYP1A2-inh 0
CYP1A2-sub 0.194
CYP2c19-inh 0
CYP2c19-sub 0.598
CYP2c9-inh 0.001
CYP2c9-sub 0.073
CYP2d6-inh 0
CYP2d6-sub 0.12
CYP3a4-inh 0.068
CYP3a4-sub 0.055
Excretion
CL 0.991
T12 0.026
Toxicity
hERG 0.003
Ames 0.126
ROA 0.141
SkinSen 0.002
Carcinogencity 0.035
EI 0.003
Respiratory 0.154
NR-Aromatase 0.808
Antiviral Prediction
Antiviral Yes
Prediction 0.851487
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