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DocumentationIdentifier: MM386038
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386038 |
| SMILES |
C=CC(=CCNC)CNC
|
| InChIKey |
AEALDIHJIPTPSD-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
MM80969
Similarity: 0.9176
Similarity to MM80969
| Tanimoto metric | 0.9176 |
|---|---|
| Cosine metric | 0.9579 |
| Dice metric | 0.9571 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80592
Similarity: 0.8471
Similarity to MM80592
| Tanimoto metric | 0.8471 |
|---|---|
| Cosine metric | 0.9204 |
| Dice metric | 0.9172 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81196
Similarity: 0.8081
Similarity to MM81196
| Tanimoto metric | 0.8081 |
|---|---|
| Cosine metric | 0.895 |
| Dice metric | 0.8939 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+606 more
