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DocumentationIdentifier: MM364488
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM364488 |
| SMILES |
C=C(CO)CCNCCN
|
| InChIKey |
DDPQTQRRTVHHCD-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM85993
Similarity: 0.8554
Similarity to MM85993
| Tanimoto metric | 0.8554 |
|---|---|
| Cosine metric | 0.9249 |
| Dice metric | 0.9221 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84488
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| Tanimoto metric | 0.7349 |
|---|---|
| Cosine metric | 0.8573 |
| Dice metric | 0.8472 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM84007
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Similarity to MM84007
| Tanimoto metric | 0.7229 |
|---|---|
| Cosine metric | 0.8502 |
| Dice metric | 0.8392 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+734 more
