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DocumentationIdentifier: MM173552
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173552 |
| SMILES |
C#CC(O)C(=O)CC#N
|
| InChIKey |
DVCIZNHOPSHQMV-UHFFFAOYSA-N
|
| MW [Da] |
123.11
Automatically obtained from RDkit software. |
| LogP |
-0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM351695
Similarity: 0.7153
Similarity to MM351695
| Tanimoto metric | 0.7153 |
|---|---|
| Cosine metric | 0.8457 |
| Dice metric | 0.834 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351697
Similarity: 0.7103
Similarity to MM351697
| Tanimoto metric | 0.7103 |
|---|---|
| Cosine metric | 0.8428 |
| Dice metric | 0.8306 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50469
Similarity: 0.6803
Similarity to MM50469
| Tanimoto metric | 0.6803 |
|---|---|
| Cosine metric | 0.8098 |
| Dice metric | 0.8098 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+147 more
