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DocumentationIdentifier: MM386701
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386701 |
| SMILES |
CCCC(C#N)CCNC
|
| InChIKey |
BMGKTUGBGMOJQE-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198803
Similarity: 0.7831
Similarity to MM198803
| Tanimoto metric | 0.7831 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8784 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387131
Similarity: 0.7188
Similarity to MM387131
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8364 |
| Dice metric | 0.8364 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326658
Similarity: 0.7064
Similarity to MM326658
| Tanimoto metric | 0.7064 |
|---|---|
| Cosine metric | 0.8328 |
| Dice metric | 0.828 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+409 more
