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DocumentationIdentifier: MM368501
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368501 |
| SMILES |
C=CC=COCC(C)C#N
|
| InChIKey |
SNIRJYZEUDUIKN-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167282
Similarity: 0.88
Similarity to MM167282
| Tanimoto metric | 0.88 |
|---|---|
| Cosine metric | 0.9381 |
| Dice metric | 0.9362 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405224
Similarity: 0.7952
Similarity to MM405224
| Tanimoto metric | 0.7952 |
|---|---|
| Cosine metric | 0.8859 |
| Dice metric | 0.8859 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM260462
Similarity: 0.7765
Similarity to MM260462
| Tanimoto metric | 0.7765 |
|---|---|
| Cosine metric | 0.8742 |
| Dice metric | 0.8742 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+442 more
