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DocumentationIdentifier: MM328945
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328945 |
| SMILES |
C=CC(=N)NC(CC)CC
|
| InChIKey |
IMIHLNLWKJICHO-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142140
Similarity: 0.8969
Similarity to MM142140
| Tanimoto metric | 0.8969 |
|---|---|
| Cosine metric | 0.9471 |
| Dice metric | 0.9457 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264316
Similarity: 0.75
Similarity to MM264316
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.858 |
| Dice metric | 0.8571 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262273
Similarity: 0.7436
Similarity to MM262273
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.854 |
| Dice metric | 0.8529 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+480 more
