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DocumentationIdentifier: MM273293
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM273293 |
| SMILES |
C=CC(=O)NCCCC#N
|
| InChIKey |
GHSNTKGHISEGCD-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM305057
Similarity: 0.8242
Similarity to MM305057
| Tanimoto metric | 0.8242 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9036 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365591
Similarity: 0.7576
Similarity to MM365591
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.863 |
| Dice metric | 0.8621 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303627
Similarity: 0.7426
Similarity to MM303627
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8523 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+364 more
