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DocumentationIdentifier: MM447128
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM447128 |
| SMILES |
NCCCCN1CC1CN
|
| InChIKey |
VJXSVBCCELOWOH-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
-0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM216563
Similarity: 0.9444
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| Tanimoto metric | 0.9444 |
|---|---|
| Cosine metric | 0.9718 |
| Dice metric | 0.9714 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127621
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| Tanimoto metric | 0.7963 |
|---|---|
| Cosine metric | 0.8924 |
| Dice metric | 0.8866 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.04 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM216564
Similarity: 0.7478
Similarity to MM216564
| Tanimoto metric | 0.7478 |
|---|---|
| Cosine metric | 0.8581 |
| Dice metric | 0.8557 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+348 more
