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DocumentationIdentifier: MM54277
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM54277 |
| SMILES |
CC(C)(C)C(=O)NCCN
|
| InChIKey |
JCJIKGDYVOCAMX-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162411
Similarity: 0.8427
Similarity to MM162411
| Tanimoto metric | 0.8427 |
|---|---|
| Cosine metric | 0.918 |
| Dice metric | 0.9146 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302872
Similarity: 0.8202
Similarity to MM302872
| Tanimoto metric | 0.8202 |
|---|---|
| Cosine metric | 0.9057 |
| Dice metric | 0.9012 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231406
Similarity: 0.6952
Similarity to MM231406
| Tanimoto metric | 0.6952 |
|---|---|
| Cosine metric | 0.8202 |
| Dice metric | 0.8202 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+517 more
