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DocumentationIdentifier: MM306462
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306462 |
| SMILES |
CC(=O)NCCC=C(C)C
|
| InChIKey |
TYAHGNCMFAFXOL-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM305014
Similarity: 0.8684
Similarity to MM305014
| Tanimoto metric | 0.8684 |
|---|---|
| Cosine metric | 0.9319 |
| Dice metric | 0.9296 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69415
Similarity: 0.7952
Similarity to MM69415
| Tanimoto metric | 0.7952 |
|---|---|
| Cosine metric | 0.8861 |
| Dice metric | 0.8859 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303400
Similarity: 0.7765
Similarity to MM303400
| Tanimoto metric | 0.7765 |
|---|---|
| Cosine metric | 0.8742 |
| Dice metric | 0.8742 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+395 more
