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DocumentationIdentifier: MM82583
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82583 |
| SMILES |
C#CC(=O)N(C)C(=C)C=O
|
| InChIKey |
SUTFVFAKDLBIEO-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM47466
Similarity: 0.7423
Similarity to MM47466
| Tanimoto metric | 0.7423 |
|---|---|
| Cosine metric | 0.8616 |
| Dice metric | 0.8521 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160702
Similarity: 0.7117
Similarity to MM160702
| Tanimoto metric | 0.7117 |
|---|---|
| Cosine metric | 0.8436 |
| Dice metric | 0.8315 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94840
Similarity: 0.6875
Similarity to MM94840
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8187 |
| Dice metric | 0.8148 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+45 more
