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

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Chemoinformaics analysis of Santene


Physiochemical Properties
Molecular Weight 122.211 nRot 0
Heavy Atom Molecular Weight 108.099 nRig 8
Exact Molecular Weight 122.11 nRing 2
Solubility: LogS -3.858 nHRing 0
Solubility: LogP 3.498 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 2
Atoms Count 23 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 9 No. of Aromatic Carbocycles 0
nHetero 0 No. of Aromatic Hetero Cycles 0
nBridge Head 2 No. Saturated Carbocycles 1
No. of Hydrogen atom 14 No. of Saturated Hetero Cycles 0
No. of Carbon atom 9 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 0 No. of Arom Bond 0
nHA 0 APOL 24.3651
nHD 0 BPOL 14.0449
Medicinal Chemistry Properties
QED 0.433
Synth 4.313
Natural Product Likeliness 0.924
NR-PPAR-gamma 0.004
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.001
Pgp-sub 0.147
HIA 0.007
CACO-2 -4.403
Distribution
MDCK 0.0000268
BBB 0.948
PPB 0.960339
VDSS 3.648
Metabolism
FU 0.0270502
CYP1A2-inh 0.558
CYP1A2-sub 0.914
CYP2c19-inh 0.216
CYP2c19-sub 0.901
CYP2c9-inh 0.166
CYP2c9-sub 0.869
CYP2d6-inh 0.024
CYP2d6-sub 0.904
CYP3a4-inh 0.169
CYP3a4-sub 0.4
Excretion
CL 16.857
T12 0.205
Toxicity
hERG 0.038
Ames 0.009
ROA 0.035
SkinSen 0.32
Carcinogencity 0.334
EI 0.977
Respiratory 0.764
NR-Aromatase 0.004
Antiviral Prediction
Antiviral No
Prediction 0.934288
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A database of all the medicinal plants having PAN India presence.
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