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DocumentationIdentifier: MM375121
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM375121 |
| SMILES |
CC#CC=CCC(=O)CC
|
| InChIKey |
XMPJSDLUCDVRPD-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
1.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168717
Similarity: 0.8701
Similarity to MM168717
| Tanimoto metric | 0.8701 |
|---|---|
| Cosine metric | 0.9328 |
| Dice metric | 0.9306 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153870
Similarity: 0.8182
Similarity to MM153870
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280493
Similarity: 0.8072
Similarity to MM280493
| Tanimoto metric | 0.8072 |
|---|---|
| Cosine metric | 0.8937 |
| Dice metric | 0.8933 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+353 more
