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DocumentationIdentifier: MM84874
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84874 |
| SMILES |
C#CC(CCNC)NCC
|
| InChIKey |
FXOZHEYHZZERAI-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
MM78962
Similarity: 0.8478
Similarity to MM78962
| Tanimoto metric | 0.8478 |
|---|---|
| Cosine metric | 0.9208 |
| Dice metric | 0.9176 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84515
Similarity: 0.7826
Similarity to MM84515
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79187
Similarity: 0.7573
Similarity to MM79187
| Tanimoto metric | 0.7573 |
|---|---|
| Cosine metric | 0.862 |
| Dice metric | 0.8619 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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