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DocumentationIdentifier: MM81590
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM81590 |
| SMILES |
CC(=O)NCC(C#N)C#N
|
| InChIKey |
XGJOXZHSKZPAGZ-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 |
Similar entries
MM58101
Similarity: 0.7647
Similarity to MM58101
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8667 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54390
Similarity: 0.7209
Similarity to MM54390
| Tanimoto metric | 0.7209 |
|---|---|
| Cosine metric | 0.8491 |
| Dice metric | 0.8378 |
| MW: | 123.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317480
Similarity: 0.7027
Similarity to MM317480
| Tanimoto metric | 0.7027 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8254 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+83 more
