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DocumentationIdentifier: MM267784
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM267784 |
| SMILES |
C=C(C#N)C=C(C)CCC
|
| InChIKey |
XLVZSEFARMQLFS-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
MM143792
Similarity: 0.8191
Similarity to MM143792
| Tanimoto metric | 0.8191 |
|---|---|
| Cosine metric | 0.9051 |
| Dice metric | 0.9006 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM338558
Similarity: 0.7745
Similarity to MM338558
| Tanimoto metric | 0.7745 |
|---|---|
| Cosine metric | 0.8736 |
| Dice metric | 0.8729 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267814
Similarity: 0.713
Similarity to MM267814
| Tanimoto metric | 0.713 |
|---|---|
| Cosine metric | 0.8325 |
| Dice metric | 0.8324 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+565 more
