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DocumentationIdentifier: MM346445
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM346445 |
| SMILES |
CC(C#N)(C#N)CC1CN1
|
| InChIKey |
IAANWMUXYCECGM-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM98667
Similarity: 0.7886
Similarity to MM98667
| Tanimoto metric | 0.7886 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8818 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM277488
Similarity: 0.7006
Similarity to MM277488
| Tanimoto metric | 0.7006 |
|---|---|
| Cosine metric | 0.8265 |
| Dice metric | 0.824 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM440515
Similarity: 0.6178
Similarity to MM440515
| Tanimoto metric | 0.6178 |
|---|---|
| Cosine metric | 0.7642 |
| Dice metric | 0.7638 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+45 more
