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DocumentationIdentifier: MM214725
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM214725 |
| SMILES |
NCCN=CNCCN
|
| InChIKey |
BHSMMEXDMXVGFH-UHFFFAOYSA-N
|
| MW [Da] |
130.2
Automatically obtained from RDkit software. |
| LogP |
-1.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126008
Similarity: 0.9318
Similarity to MM126008
| Tanimoto metric | 0.9318 |
|---|---|
| Cosine metric | 0.9653 |
| Dice metric | 0.9647 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8367 |
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| Cosine metric | 0.9113 |
| Dice metric | 0.9111 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM448172
Similarity: 0.7778
Similarity to MM448172
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8781 |
| Dice metric | 0.875 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+236 more
