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DocumentationIdentifier: MM300097
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM300097 |
| SMILES |
C=C(C)N(C)C(=O)C#CC
|
| InChIKey |
WXSKMROHTMTTMT-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1
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: 0.8231
Similarity to MM47466
| Tanimoto metric | 0.8231 |
|---|---|
| Cosine metric | 0.9073 |
| Dice metric | 0.903 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM413737
Similarity: 0.7806
Similarity to MM413737
| Tanimoto metric | 0.7806 |
|---|---|
| Cosine metric | 0.8787 |
| Dice metric | 0.8768 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82609
Similarity: 0.6954
Similarity to MM82609
| Tanimoto metric | 0.6954 |
|---|---|
| Cosine metric | 0.8203 |
| Dice metric | 0.8203 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+83 more
