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DocumentationIdentifier: MM293809
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293809 |
| SMILES |
C#CCC(=O)N(C)CC#C
|
| InChIKey |
HMXSRQOBTKUDEP-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173221
Similarity: 0.8198
Similarity to MM173221
| Tanimoto metric | 0.8198 |
|---|---|
| Cosine metric | 0.9054 |
| Dice metric | 0.901 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293713
Similarity: 0.6912
Similarity to MM293713
| Tanimoto metric | 0.6912 |
|---|---|
| Cosine metric | 0.8179 |
| Dice metric | 0.8174 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293779
Similarity: 0.6812
Similarity to MM293779
| Tanimoto metric | 0.6812 |
|---|---|
| Cosine metric | 0.8111 |
| Dice metric | 0.8103 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+334 more
