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DocumentationIdentifier: MM37775
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM37775 |
| SMILES |
C#CC(C)(C#C)NCC#N
|
| InChIKey |
NRHFQXJDANKJMY-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138529
Similarity: 0.8452
Similarity to MM138529
| Tanimoto metric | 0.8452 |
|---|---|
| Cosine metric | 0.9194 |
| Dice metric | 0.9161 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37484
Similarity: 0.7143
Similarity to MM37484
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309749
Similarity: 0.6907
Similarity to MM309749
| Tanimoto metric | 0.6907 |
|---|---|
| Cosine metric | 0.8173 |
| Dice metric | 0.8171 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+114 more
