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DocumentationIdentifier: MM34636
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM34636 |
| SMILES |
C#CC(C)(C#N)C(=N)NC
|
| InChIKey |
WNKWYADMRUOYDL-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM33940
Similarity: 0.7568
Similarity to MM33940
| Tanimoto metric | 0.7568 |
|---|---|
| Cosine metric | 0.8699 |
| Dice metric | 0.8615 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46877
Similarity: 0.6545
Similarity to MM46877
| Tanimoto metric | 0.6545 |
|---|---|
| Cosine metric | 0.794 |
| Dice metric | 0.7912 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91620
Similarity: 0.6486
Similarity to MM91620
| Tanimoto metric | 0.6486 |
|---|---|
| Cosine metric | 0.8054 |
| Dice metric | 0.7869 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+87 more
