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DocumentationIdentifier: MM195204
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM195204 |
| SMILES |
C#CC(C#C)C1CN1C
|
| InChIKey |
XXNXUDYFKUHDAJ-UHFFFAOYSA-N
|
| MW [Da] |
119.17
Automatically obtained from RDkit software. |
| LogP |
0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM426589
Similarity: 0.7834
Similarity to MM426589
| Tanimoto metric | 0.7834 |
|---|---|
| Cosine metric | 0.8851 |
| Dice metric | 0.8786 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196497
Similarity: 0.7386
Similarity to MM196497
| Tanimoto metric | 0.7386 |
|---|---|
| Cosine metric | 0.852 |
| Dice metric | 0.8496 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM195128
Similarity: 0.6807
Similarity to MM195128
| Tanimoto metric | 0.6807 |
|---|---|
| Cosine metric | 0.8158 |
| Dice metric | 0.81 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+115 more
