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DocumentationIdentifier: MM77649
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77649 |
| SMILES |
C=CC(N)CC(N)C(=C)C
|
| InChIKey |
CGTGLUMZEURJHN-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
MM133625
Similarity: 0.9063
Similarity to MM133625
| Tanimoto metric | 0.9063 |
|---|---|
| Cosine metric | 0.952 |
| Dice metric | 0.9508 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90987
Similarity: 0.901
Similarity to MM90987
| Tanimoto metric | 0.901 |
|---|---|
| Cosine metric | 0.9479 |
| Dice metric | 0.9479 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254757
Similarity: 0.802
Similarity to MM254757
| Tanimoto metric | 0.802 |
|---|---|
| Cosine metric | 0.8915 |
| Dice metric | 0.8901 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+463 more
