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

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Chemoinformaics analysis of SERRATANIDINE


Physiochemical Properties
Molecular Weight 295.379 nRot 0
Heavy Atom Molecular Weight 270.179 nRig 20
Exact Molecular Weight 295.178 nRing 4
Solubility: LogS -1.345 nHRing 2
Solubility: LogP -0.281 No. of Aliphatic Rings 4
Acid Count 0 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 2
Atoms Count 46 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 21 No. of Aromatic Carbocycles 0
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 2
No. of Hydrogen atom 25 No. of Saturated Hetero Cycles 2
No. of Carbon atom 16 No. of Saturated Rings 4
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 4 No. of Arom Bond 0
nHA 5 APOL 47.6978
nHD 3 BPOL 27.6582
Medicinal Chemistry Properties
QED 0.589
Synth 5.555
Natural Product Likeliness 2.738
NR-PPAR-gamma 0.004
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.002
Pgp-sub 0.064
HIA 0.829
CACO-2 -4.982
Distribution
MDCK 0.00000649
BBB 0.837
PPB 0.156456
VDSS 1.15
Metabolism
FU 0.890184
CYP1A2-inh 0.007
CYP1A2-sub 0.344
CYP2c19-inh 0.014
CYP2c19-sub 0.911
CYP2c9-inh 0.007
CYP2c9-sub 0.164
CYP2d6-inh 0.012
CYP2d6-sub 0.241
CYP3a4-inh 0.033
CYP3a4-sub 0.883
Excretion
CL 7.242
T12 0.573
Toxicity
hERG 0.019
Ames 0.084
ROA 0.505
SkinSen 0.028
Carcinogencity 0.069
EI 0.009
Respiratory 0.672
NR-Aromatase 0.09
Antiviral Prediction
Antiviral Yes
Prediction 0.832139
OSADHI

A database of all the medicinal plants having PAN India presence.
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