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DocumentationIdentifier: MM377983
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377983 |
| SMILES |
C#CC(=O)N(CC)CCN
|
| InChIKey |
ZZAFOSAKCMXYKE-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172846
Similarity: 0.8846
Similarity to MM172846
| Tanimoto metric | 0.8846 |
|---|---|
| Cosine metric | 0.9405 |
| Dice metric | 0.9388 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295315
Similarity: 0.7244
Similarity to MM295315
| Tanimoto metric | 0.7244 |
|---|---|
| Cosine metric | 0.8412 |
| Dice metric | 0.8402 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179840
Similarity: 0.6731
Similarity to MM179840
| Tanimoto metric | 0.6731 |
|---|---|
| Cosine metric | 0.8204 |
| Dice metric | 0.8046 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+218 more
