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DocumentationIdentifier: MM142471
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142471 |
| SMILES |
C#CC(C)NC(=O)CC
|
| InChIKey |
LPJAEPILRPTOAR-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
0.53
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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MM330806
Similarity: 0.9082
Similarity to MM330806
| Tanimoto metric | 0.9082 |
|---|---|
| Cosine metric | 0.953 |
| Dice metric | 0.9519 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262962
Similarity: 0.8558
Similarity to MM262962
| Tanimoto metric | 0.8558 |
|---|---|
| Cosine metric | 0.9251 |
| Dice metric | 0.9223 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262998
Similarity: 0.8396
Similarity to MM262998
| Tanimoto metric | 0.8396 |
|---|---|
| Cosine metric | 0.9163 |
| Dice metric | 0.9128 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+697 more
