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DocumentationIdentifier: MM80093
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80093 |
| SMILES |
C#CC(=N)NCC(C)O
|
| InChIKey |
UPLVKPZFWSMMOQ-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
-0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM71982
Similarity: 0.8319
Similarity to MM71982
| Tanimoto metric | 0.8319 |
|---|---|
| Cosine metric | 0.9121 |
| Dice metric | 0.9082 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69761
Similarity: 0.8103
Similarity to MM69761
| Tanimoto metric | 0.8103 |
|---|---|
| Cosine metric | 0.9002 |
| Dice metric | 0.8952 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79590
Similarity: 0.7966
Similarity to MM79590
| Tanimoto metric | 0.7966 |
|---|---|
| Cosine metric | 0.8925 |
| Dice metric | 0.8868 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+437 more
