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

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Chemoinformaics analysis of Tricosane


Physiochemical Properties
Molecular Weight 324.637 nRot 20
Heavy Atom Molecular Weight 276.253 nRig 24
Exact Molecular Weight 324.376 nRing 0
Solubility: LogS -2.898 nHRing 0
Solubility: LogP 2.317 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 71 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 23 No. of Aromatic Carbocycles 0
nHetero 0 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 48 No. of Saturated Hetero Cycles 0
No. of Carbon atom 23 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 0 No. of Arom Bond 0
nHA 0 APOL 70.4161
nHD 0 BPOL 48.1539
Medicinal Chemistry Properties
QED 0.657
Synth 5.099
Natural Product Likeliness 2.375
NR-PPAR-gamma 0.006
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.012
Pgp-sub 0.921
HIA 0.009
CACO-2 -4.877
Distribution
MDCK 0.0000265
BBB 0.983
PPB 0.530355
VDSS 1.964
Metabolism
FU 0.50251
CYP1A2-inh 0.056
CYP1A2-sub 0.902
CYP2c19-inh 0.192
CYP2c19-sub 0.878
CYP2c9-inh 0.179
CYP2c9-sub 0.514
CYP2d6-inh 0.866
CYP2d6-sub 0.859
CYP3a4-inh 0.881
CYP3a4-sub 0.592
Excretion
CL 10.13
T12 0.349
Toxicity
hERG 0.253
Ames 0.05
ROA 0.738
SkinSen 0.041
Carcinogencity 0.937
EI 0.023
Respiratory 0.911
NR-Aromatase 0.729
Antiviral Prediction
Antiviral No
Prediction 0.769352
OSADHI

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