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DocumentationIdentifier: MM239884
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239884 |
| SMILES |
C#CC(C)(C)NCCNC
|
| InChIKey |
YEVOHDBCMLHDFA-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM69165
Similarity: 0.8933
Similarity to MM69165
| Tanimoto metric | 0.8933 |
|---|---|
| Cosine metric | 0.9452 |
| Dice metric | 0.9437 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309749
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| Tanimoto metric | 0.7614 |
|---|---|
| Cosine metric | 0.865 |
| Dice metric | 0.8645 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM166267
Similarity: 0.76
Similarity to MM166267
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8636 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+511 more
