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DocumentationIdentifier: MM82609
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82609 |
| SMILES |
C#CC(=C)N(C)C(=O)C#C
|
| InChIKey |
HONWVRPMGPVGCW-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47466
Similarity: 0.8176
Similarity to MM47466
| Tanimoto metric | 0.8176 |
|---|---|
| Cosine metric | 0.9042 |
| Dice metric | 0.8996 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47463
Similarity: 0.7905
Similarity to MM47463
| Tanimoto metric | 0.7905 |
|---|---|
| Cosine metric | 0.8891 |
| Dice metric | 0.883 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300097
Similarity: 0.6954
Similarity to MM300097
| Tanimoto metric | 0.6954 |
|---|---|
| Cosine metric | 0.8203 |
| Dice metric | 0.8203 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+49 more
