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DocumentationIdentifier: MM409285
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM409285 |
| SMILES |
C#CC#CCC(C#C)NC
|
| InChIKey |
QEASCAANWMLBLR-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199721
Similarity: 0.8427
Similarity to MM199721
| Tanimoto metric | 0.8427 |
|---|---|
| Cosine metric | 0.918 |
| Dice metric | 0.9146 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM409154
Similarity: 0.7732
Similarity to MM409154
| Tanimoto metric | 0.7732 |
|---|---|
| Cosine metric | 0.8726 |
| Dice metric | 0.8721 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM169117
Similarity: 0.764
Similarity to MM169117
| Tanimoto metric | 0.764 |
|---|---|
| Cosine metric | 0.8741 |
| Dice metric | 0.8662 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+159 more
