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DocumentationIdentifier: MM153419
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM153419 |
| SMILES |
CCC#CCNC(C)C
|
| InChIKey |
QBXAVXPJFDWGKG-UHFFFAOYSA-N
|
| MW [Da] |
125.22
Automatically obtained from RDkit software. |
| LogP |
1.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM288281
Similarity: 0.8644
Similarity to MM288281
| Tanimoto metric | 0.8644 |
|---|---|
| Cosine metric | 0.9297 |
| Dice metric | 0.9273 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288253
Similarity: 0.8644
Similarity to MM288253
| Tanimoto metric | 0.8644 |
|---|---|
| Cosine metric | 0.9297 |
| Dice metric | 0.9273 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288252
Similarity: 0.85
Similarity to MM288252
| Tanimoto metric | 0.85 |
|---|---|
| Cosine metric | 0.922 |
| Dice metric | 0.9189 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+785 more
