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DocumentationIdentifier: MM44943
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44943 |
| SMILES |
C#CCNC(C#C)CC#N
|
| InChIKey |
BXKZLHBLKCQADN-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46574
Similarity: 0.7304
Similarity to MM46574
| Tanimoto metric | 0.7304 |
|---|---|
| Cosine metric | 0.8451 |
| Dice metric | 0.8442 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44316
Similarity: 0.7241
Similarity to MM44316
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.8411 |
| Dice metric | 0.84 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289231
Similarity: 0.7179
Similarity to MM289231
| Tanimoto metric | 0.7179 |
|---|---|
| Cosine metric | 0.8371 |
| Dice metric | 0.8358 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+49 more
