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DocumentationIdentifier: MM242415
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242415 |
| SMILES |
C#CC(C)(C)C(=N)NCC
|
| InChIKey |
IHVPHZICDGAKOP-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173533
Similarity: 0.7931
Similarity to MM173533
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351517
Similarity: 0.7188
Similarity to MM351517
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8376 |
| Dice metric | 0.8364 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351640
Similarity: 0.7077
Similarity to MM351640
| Tanimoto metric | 0.7077 |
|---|---|
| Cosine metric | 0.8297 |
| Dice metric | 0.8288 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+498 more
