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DocumentationIdentifier: MM244863
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244863 |
| SMILES |
C#CC(N)CC(O)C(C)N
|
| InChIKey |
KOXDOCXEXOKYEI-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
-0.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141781
Similarity: 0.7583
Similarity to MM141781
| Tanimoto metric | 0.7583 |
|---|---|
| Cosine metric | 0.8708 |
| Dice metric | 0.8626 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261817
Similarity: 0.7266
Similarity to MM261817
| Tanimoto metric | 0.7266 |
|---|---|
| Cosine metric | 0.8448 |
| Dice metric | 0.8416 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261751
Similarity: 0.6846
Similarity to MM261751
| Tanimoto metric | 0.6846 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8128 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+390 more
