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DocumentationIdentifier: MM50233
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM50233 |
| SMILES |
C#CCC(O)C(=O)C#C
|
| InChIKey |
YZTVKBLGRUNKNZ-UHFFFAOYSA-N
|
| MW [Da] |
122.12
Automatically obtained from RDkit software. |
| LogP |
-0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM111883
Similarity: 0.8427
Similarity to MM111883
| Tanimoto metric | 0.8427 |
|---|---|
| Cosine metric | 0.918 |
| Dice metric | 0.9146 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378012
Similarity: 0.712
Similarity to MM378012
| Tanimoto metric | 0.712 |
|---|---|
| Cosine metric | 0.8438 |
| Dice metric | 0.8318 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172855
Similarity: 0.6909
Similarity to MM172855
| Tanimoto metric | 0.6909 |
|---|---|
| Cosine metric | 0.818 |
| Dice metric | 0.8172 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+356 more
