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DocumentationIdentifier: MM15282
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15282 |
| SMILES |
CC#CC(C#N)CC
|
| InChIKey |
RVISQNSDUCZLKR-UHFFFAOYSA-N
|
| MW [Da] |
107.16
Automatically obtained from RDkit software. |
| LogP |
1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201230
Similarity: 0.8485
Similarity to MM201230
| Tanimoto metric | 0.8485 |
|---|---|
| Cosine metric | 0.9211 |
| Dice metric | 0.918 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201271
Similarity: 0.8
Similarity to MM201271
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201291
Similarity: 0.7887
Similarity to MM201291
| Tanimoto metric | 0.7887 |
|---|---|
| Cosine metric | 0.8881 |
| Dice metric | 0.8819 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+483 more
