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DocumentationIdentifier: MM76628
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76628 |
| SMILES |
C=CC(C=CCNC)NC
|
| InChIKey |
WHFMSSYLOOOYLR-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM79767
Similarity: 0.7907
Similarity to MM79767
| Tanimoto metric | 0.7907 |
|---|---|
| Cosine metric | 0.885 |
| Dice metric | 0.8831 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79758
Similarity: 0.7791
Similarity to MM79758
| Tanimoto metric | 0.7791 |
|---|---|
| Cosine metric | 0.8773 |
| Dice metric | 0.8758 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82777
Similarity: 0.7778
Similarity to MM82777
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+345 more
