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DocumentationIdentifier: MM280415
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280415 |
| SMILES |
C=CC=CCC(=O)CC=C
|
| InChIKey |
GNCBJZCBJXGREL-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168624
Similarity: 0.9403
Similarity to MM168624
| Tanimoto metric | 0.9403 |
|---|---|
| Cosine metric | 0.9697 |
| Dice metric | 0.9692 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156918
Similarity: 0.8209
Similarity to MM156918
| Tanimoto metric | 0.8209 |
|---|---|
| Cosine metric | 0.906 |
| Dice metric | 0.9016 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM259273
Similarity: 0.75
Similarity to MM259273
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8605 |
| Dice metric | 0.8571 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+441 more
