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DocumentationIdentifier: MM350749
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350749 |
| SMILES |
C=CC(N)C(=C)CCCN
|
| InChIKey |
RRLCJGVUJYTSKL-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173231
Similarity: 0.8469
Similarity to MM173231
| Tanimoto metric | 0.8469 |
|---|---|
| Cosine metric | 0.9203 |
| Dice metric | 0.9171 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350747
Similarity: 0.8037
Similarity to MM350747
| Tanimoto metric | 0.8037 |
|---|---|
| Cosine metric | 0.8913 |
| Dice metric | 0.8912 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351083
Similarity: 0.7615
Similarity to MM351083
| Tanimoto metric | 0.7615 |
|---|---|
| Cosine metric | 0.8648 |
| Dice metric | 0.8646 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+528 more
