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DocumentationIdentifier: MM451193
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM451193 |
| SMILES |
CCCN=CNCCCN
|
| InChIKey |
OTLHFFITZXGEOW-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM214724
Similarity: 0.8704
Similarity to MM214724
| Tanimoto metric | 0.8704 |
|---|---|
| Cosine metric | 0.9329 |
| Dice metric | 0.9307 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM126007
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| Tanimoto metric | 0.7963 |
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| Cosine metric | 0.8924 |
| Dice metric | 0.8866 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.03 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM288418
Similarity: 0.7937
Similarity to MM288418
| Tanimoto metric | 0.7937 |
|---|---|
| Cosine metric | 0.8858 |
| Dice metric | 0.885 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+381 more
