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DocumentationIdentifier: MM369760
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM369760 |
| SMILES |
C=CC(=N)NCC=CCN
|
| InChIKey |
FIAIMVTUMIPOMN-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167583
Similarity: 0.8919
Similarity to MM167583
| Tanimoto metric | 0.8919 |
|---|---|
| Cosine metric | 0.9444 |
| Dice metric | 0.9429 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM279447
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| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.8919 |
| Dice metric | 0.8919 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM288049
Similarity: 0.7895
Similarity to MM288049
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8858 |
| Dice metric | 0.8824 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+491 more
