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DocumentationIdentifier: MM170430
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM170430 |
| SMILES |
NCCC#CC(N)CN
|
| InChIKey |
KOJXNSQBCRUTHW-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
-1.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM114444
Similarity: 0.8929
Similarity to MM114444
| Tanimoto metric | 0.8929 |
|---|---|
| Cosine metric | 0.9449 |
| Dice metric | 0.9434 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145895
Similarity: 0.8438
Similarity to MM145895
| Tanimoto metric | 0.8438 |
|---|---|
| Cosine metric | 0.9164 |
| Dice metric | 0.9153 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78907
Similarity: 0.7857
Similarity to MM78907
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+826 more
