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DocumentationIdentifier: MM443997
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM443997 |
| SMILES |
CC#CC(C)C1NC1CN
|
| InChIKey |
NZHGWBYYTJHNEP-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
-0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM210762
Similarity: 0.8115
Similarity to MM210762
| Tanimoto metric | 0.8115 |
|---|---|
| Cosine metric | 0.9008 |
| Dice metric | 0.896 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM426563
Similarity: 0.7598
Similarity to MM426563
| Tanimoto metric | 0.7598 |
|---|---|
| Cosine metric | 0.8653 |
| Dice metric | 0.8635 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM435570
Similarity: 0.7143
Similarity to MM435570
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8336 |
| Dice metric | 0.8333 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+203 more
