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DocumentationIdentifier: MM306685
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306685 |
| SMILES |
C#CC(C)C=C(C)C(N)=O
|
| InChIKey |
PRJWFKWAOMCPGI-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM303744
Similarity: 0.7581
Similarity to MM303744
| Tanimoto metric | 0.7581 |
|---|---|
| Cosine metric | 0.8707 |
| Dice metric | 0.8624 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM327975
Similarity: 0.7339
Similarity to MM327975
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.8567 |
| Dice metric | 0.8465 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306206
Similarity: 0.6934
Similarity to MM306206
| Tanimoto metric | 0.6934 |
|---|---|
| Cosine metric | 0.8209 |
| Dice metric | 0.819 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+228 more
