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DocumentationIdentifier: MM66625
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM66625 |
| SMILES |
C#CC(C)(C=C)NCCN
|
| InChIKey |
LLWWVMTWPCLWFU-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139599
Similarity: 0.8349
Similarity to MM139599
| Tanimoto metric | 0.8349 |
|---|---|
| Cosine metric | 0.9137 |
| Dice metric | 0.91 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229200
Similarity: 0.7667
Similarity to MM229200
| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8683 |
| Dice metric | 0.8679 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309602
Similarity: 0.7222
Similarity to MM309602
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8387 |
| Dice metric | 0.8387 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+336 more
