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

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Chemoinformaics analysis of insulin


Physiochemical Properties
Molecular Weight 290.271 nRot 1
Heavy Atom Molecular Weight 276.159 nRig 29
Exact Molecular Weight 290.079 nRing 4
Solubility: LogS -6.012 nHRing 3
Solubility: LogP 6.591 No. of Aliphatic Rings 4
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 35 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 21 No. of Aromatic Carbocycles 0
nHetero 6 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 14 No. of Saturated Hetero Cycles 2
No. of Carbon atom 15 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 6 No. of Arom Bond 0
nHA 6 APOL 39.1971
nHD 0 BPOL 22.7249
Medicinal Chemistry Properties
QED 0.264
Synth 4.962
Natural Product Likeliness 2.134
NR-PPAR-gamma 0.962
Drug Likeliness
Lipinski Rejected
Pfizer Rejected
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.999
Pgp-sub 0.005
HIA 0.004
CACO-2 -4.806
Distribution
MDCK 0.0000185
BBB 0.653
PPB 0.983507
VDSS 1.587
Metabolism
FU 0.00623795
CYP1A2-inh 0.016
CYP1A2-sub 0.223
CYP2c19-inh 0.22
CYP2c19-sub 0.33
CYP2c9-inh 0.138
CYP2c9-sub 0.933
CYP2d6-inh 0.003
CYP2d6-sub 0.324
CYP3a4-inh 0.488
CYP3a4-sub 0.576
Excretion
CL 12.561
T12 0.011
Toxicity
hERG 0.006
Ames 0.014
ROA 0.954
SkinSen 0.041
Carcinogencity 0.038
EI 0.015
Respiratory 0.819
NR-Aromatase 0.83
Antiviral Prediction
Antiviral Yes
Prediction 0.846989
OSADHI

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