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DocumentationIdentifier: MM67296
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67296 |
| SMILES |
CCN(C)C(=O)C=CCN
|
| InChIKey |
FBFQUABMWWOLKL-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
-0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174384
Similarity: 0.8673
Similarity to MM174384
| Tanimoto metric | 0.8673 |
|---|---|
| Cosine metric | 0.9313 |
| Dice metric | 0.929 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM412578
Similarity: 0.8019
Similarity to MM412578
| Tanimoto metric | 0.8019 |
|---|---|
| Cosine metric | 0.8904 |
| Dice metric | 0.8901 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356664
Similarity: 0.7203
Similarity to MM356664
| Tanimoto metric | 0.7203 |
|---|---|
| Cosine metric | 0.8379 |
| Dice metric | 0.8374 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+322 more
