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DocumentationIdentifier: MM112601
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM112601 |
| SMILES |
CC(CN)NCCO
|
| InChIKey |
QLSQYTKEUVPIJA-UHFFFAOYSA-N
|
| MW [Da] |
118.18
Automatically obtained from RDkit software. |
| LogP |
-1.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198574
Similarity: 0.8596
Similarity to MM198574
| Tanimoto metric | 0.8596 |
|---|---|
| Cosine metric | 0.9272 |
| Dice metric | 0.9245 |
| MW: | 133.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155699
Similarity: 0.7778
Similarity to MM155699
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141590
Similarity: 0.7656
Similarity to MM141590
| Tanimoto metric | 0.7656 |
|---|---|
| Cosine metric | 0.875 |
| Dice metric | 0.8673 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+442 more
