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DocumentationIdentifier: MM283311
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM283311 |
| SMILES |
C#CCC#CC(=O)C#CC
|
| InChIKey |
ZTEOQMMNLBELBN-UHFFFAOYSA-N
|
| MW [Da] |
130.15
Automatically obtained from RDkit software. |
| LogP |
0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM368326
Similarity: 0.9333
Similarity to MM368326
| Tanimoto metric | 0.9333 |
|---|---|
| Cosine metric | 0.9655 |
| Dice metric | 0.9655 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49776
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Similarity to MM49776
| Tanimoto metric | 0.8966 |
|---|---|
| Cosine metric | 0.9469 |
| Dice metric | 0.9455 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158743
Similarity: 0.8966
Similarity to MM158743
| Tanimoto metric | 0.8966 |
|---|---|
| Cosine metric | 0.9469 |
| Dice metric | 0.9455 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+197 more
