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DocumentationIdentifier: MM78062
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78062 |
| SMILES |
N#CCC(C#N)(C#N)CO
|
| InChIKey |
SOOXGQYNNGIJQQ-UHFFFAOYSA-N
|
| MW [Da] |
135.13
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42243
Similarity: 0.8315
Similarity to MM42243
| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.908 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312769
Similarity: 0.7624
Similarity to MM312769
| Tanimoto metric | 0.7624 |
|---|---|
| Cosine metric | 0.8652 |
| Dice metric | 0.8652 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77974
Similarity: 0.7115
Similarity to MM77974
| Tanimoto metric | 0.7115 |
|---|---|
| Cosine metric | 0.8315 |
| Dice metric | 0.8315 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+77 more
