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DocumentationIdentifier: MM405395
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM405395 |
| SMILES |
C#CC(C#C)CCC=CC
|
| InChIKey |
AEECTXCDADCEGA-UHFFFAOYSA-N
|
| MW [Da] |
132.21
Automatically obtained from RDkit software. |
| LogP |
2.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167338
Similarity: 0.8906
Similarity to MM167338
| Tanimoto metric | 0.8906 |
|---|---|
| Cosine metric | 0.9437 |
| Dice metric | 0.9421 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368654
Similarity: 0.8636
Similarity to MM368654
| Tanimoto metric | 0.8636 |
|---|---|
| Cosine metric | 0.9276 |
| Dice metric | 0.9268 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199398
Similarity: 0.8125
Similarity to MM199398
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+506 more
