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DocumentationIdentifier: MM350747
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350747 |
| SMILES |
C=CC(N)C(=C)CCCC
|
| InChIKey |
QDHHGGSNYRGQRR-UHFFFAOYSA-N
|
| MW [Da] |
139.24
Automatically obtained from RDkit software. |
| LogP |
2.25
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: 0.8737
Similarity to MM173231
| Tanimoto metric | 0.8737 |
|---|---|
| Cosine metric | 0.9347 |
| Dice metric | 0.9326 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350749
Similarity: 0.8037
Similarity to MM350749
| Tanimoto metric | 0.8037 |
|---|---|
| Cosine metric | 0.8913 |
| Dice metric | 0.8912 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351083
Similarity: 0.783
Similarity to MM351083
| Tanimoto metric | 0.783 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.8783 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+560 more
