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DocumentationIdentifier: MM429554
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM429554 |
| SMILES |
CC=C(C#N)C=CCCC
|
| InChIKey |
XQHZHJFBERCTBZ-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
2.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201040
Similarity: 0.8372
Similarity to MM201040
| Tanimoto metric | 0.8372 |
|---|---|
| Cosine metric | 0.915 |
| Dice metric | 0.9114 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM429858
Similarity: 0.7708
Similarity to MM429858
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.8706 |
| Dice metric | 0.8706 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM429883
Similarity: 0.766
Similarity to MM429883
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.868 |
| Dice metric | 0.8675 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+474 more
