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DocumentationIdentifier: MM340484
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM340484 |
| SMILES |
CC(=O)NCC(CN)CN
|
| InChIKey |
QGLGDBSTGRUOCY-UHFFFAOYSA-N
|
| MW [Da] |
145.21
Automatically obtained from RDkit software. |
| LogP |
-1.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM73727
Similarity: 0.9589
Similarity to MM73727
| Tanimoto metric | 0.9589 |
|---|---|
| Cosine metric | 0.9792 |
| Dice metric | 0.979 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM93208
Similarity: 0.8642
Similarity to MM93208
| Tanimoto metric | 0.8642 |
|---|---|
| Cosine metric | 0.9277 |
| Dice metric | 0.9272 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227974
Similarity: 0.8046
Similarity to MM227974
| Tanimoto metric | 0.8046 |
|---|---|
| Cosine metric | 0.8939 |
| Dice metric | 0.8917 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+541 more
