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DocumentationIdentifier: MM348773
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348773 |
| SMILES |
C#CCCC(O)C(N)C#C
|
| InChIKey |
VBCGBFVDAXHQOK-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
-0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM268412
Similarity: 0.7769
Similarity to MM268412
| Tanimoto metric | 0.7769 |
|---|---|
| Cosine metric | 0.8768 |
| Dice metric | 0.8745 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268411
Similarity: 0.7442
Similarity to MM268411
| Tanimoto metric | 0.7442 |
|---|---|
| Cosine metric | 0.8544 |
| Dice metric | 0.8533 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261817
Similarity: 0.719
Similarity to MM261817
| Tanimoto metric | 0.719 |
|---|---|
| Cosine metric | 0.8369 |
| Dice metric | 0.8365 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+414 more
