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DocumentationIdentifier: MM459696
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM459696 |
| SMILES |
NCCNCC=CC1CN1
|
| InChIKey |
MPEBKVOBNFPBNW-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
-0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM127236
Similarity: 0.7901
Similarity to MM127236
| Tanimoto metric | 0.7901 |
|---|---|
| Cosine metric | 0.8889 |
| Dice metric | 0.8828 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102228
Similarity: 0.7037
Similarity to MM102228
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8389 |
| Dice metric | 0.8261 |
| MW: | 98.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM121276
Similarity: 0.663
Similarity to MM121276
| Tanimoto metric | 0.663 |
|---|---|
| Cosine metric | 0.7988 |
| Dice metric | 0.7974 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+153 more
