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DocumentationIdentifier: MM177137
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM177137 |
| SMILES |
CCCN1CC1(C)C#N
|
| InChIKey |
CWEUBOKDCDRMHQ-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM373287
Similarity: 0.9527
Similarity to MM373287
| Tanimoto metric | 0.9527 |
|---|---|
| Cosine metric | 0.9761 |
| Dice metric | 0.9758 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM271646
Similarity: 0.9338
Similarity to MM271646
| Tanimoto metric | 0.9338 |
|---|---|
| Cosine metric | 0.9663 |
| Dice metric | 0.9658 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM372995
Similarity: 0.9038
Similarity to MM372995
| Tanimoto metric | 0.9038 |
|---|---|
| Cosine metric | 0.9507 |
| Dice metric | 0.9495 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+233 more
