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DocumentationIdentifier: MM251369
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251369 |
| SMILES |
C#CCC(=O)CCC(=N)N
|
| InChIKey |
RNNKIDBZJMDQQE-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144811
Similarity: 0.7822
Similarity to MM144811
| Tanimoto metric | 0.7822 |
|---|---|
| Cosine metric | 0.8844 |
| Dice metric | 0.8778 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251042
Similarity: 0.7248
Similarity to MM251042
| Tanimoto metric | 0.7248 |
|---|---|
| Cosine metric | 0.8428 |
| Dice metric | 0.8404 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251192
Similarity: 0.6557
Similarity to MM251192
| Tanimoto metric | 0.6557 |
|---|---|
| Cosine metric | 0.7921 |
| Dice metric | 0.7921 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+65 more
