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DocumentationIdentifier: MM386583
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386583 |
| SMILES |
C#CC(=COCC)CC=C
|
| InChIKey |
GXCFLDAWEZHMRK-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201815
Similarity: 0.7843
Similarity to MM201815
| Tanimoto metric | 0.7843 |
|---|---|
| Cosine metric | 0.8856 |
| Dice metric | 0.8791 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386621
Similarity: 0.7304
Similarity to MM386621
| Tanimoto metric | 0.7304 |
|---|---|
| Cosine metric | 0.8445 |
| Dice metric | 0.8442 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM439517
Similarity: 0.7193
Similarity to MM439517
| Tanimoto metric | 0.7193 |
|---|---|
| Cosine metric | 0.8374 |
| Dice metric | 0.8367 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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