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DocumentationIdentifier: MM172305
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172305 |
| SMILES |
C#CCC(O)C(N)C#C
|
| InChIKey |
FAFNPFJOBUUAOG-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
-0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM111621
Similarity: 0.8409
Similarity to MM111621
| Tanimoto metric | 0.8409 |
|---|---|
| Cosine metric | 0.917 |
| Dice metric | 0.9136 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36285
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Similarity to MM36285
| Tanimoto metric | 0.8381 |
|---|---|
| Cosine metric | 0.9155 |
| Dice metric | 0.9119 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM39926
Similarity: 0.8148
Similarity to MM39926
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.898 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+366 more
