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DocumentationIdentifier: MM389464
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM389464 |
| SMILES |
C#CCCC(C#N)C#CC
|
| InChIKey |
GNBBGLACBACWSK-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM389438
Similarity: 0.8387
Similarity to MM389438
| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9123 |
| Dice metric | 0.9123 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405593
Similarity: 0.8315
Similarity to MM405593
| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.9094 |
| Dice metric | 0.908 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272876
Similarity: 0.8191
Similarity to MM272876
| Tanimoto metric | 0.8191 |
|---|---|
| Cosine metric | 0.9006 |
| Dice metric | 0.9006 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+309 more
