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DocumentationIdentifier: MM460372
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM460372 |
| SMILES |
C#CCCN1C(C)C1C#C
|
| InChIKey |
QWMRZOXJDNFQKY-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM460334
Similarity: 0.8684
Similarity to MM460334
| Tanimoto metric | 0.8684 |
|---|---|
| Cosine metric | 0.9302 |
| Dice metric | 0.9296 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM460366
Similarity: 0.8239
Similarity to MM460366
| Tanimoto metric | 0.8239 |
|---|---|
| Cosine metric | 0.9048 |
| Dice metric | 0.9034 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127483
Similarity: 0.8102
Similarity to MM127483
| Tanimoto metric | 0.8102 |
|---|---|
| Cosine metric | 0.9001 |
| Dice metric | 0.8952 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+493 more
