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DocumentationIdentifier: MM404500
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404500 |
| SMILES |
C#CC(C#C)CCCCC
|
| InChIKey |
MPWLZFXOIAXSNO-UHFFFAOYSA-N
|
| MW [Da] |
134.22
Automatically obtained from RDkit software. |
| LogP |
2.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199389
Similarity: 0.88
Similarity to MM199389
| Tanimoto metric | 0.88 |
|---|---|
| Cosine metric | 0.9381 |
| Dice metric | 0.9362 |
| MW: | 120.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364365
Similarity: 0.86
Similarity to MM364365
| Tanimoto metric | 0.86 |
|---|---|
| Cosine metric | 0.9274 |
| Dice metric | 0.9247 |
| MW: | 134.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166216
Similarity: 0.86
Similarity to MM166216
| Tanimoto metric | 0.86 |
|---|---|
| Cosine metric | 0.9274 |
| Dice metric | 0.9247 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+569 more
