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DocumentationIdentifier: MM298863
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM298863 |
| SMILES |
C=C(CC#N)C(=O)C(C)C
|
| InChIKey |
RXNAQPPLRMVNAG-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM161156
Similarity: 0.735
Similarity to MM161156
| Tanimoto metric | 0.735 |
|---|---|
| Cosine metric | 0.8573 |
| Dice metric | 0.8473 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02484
Similarity: 0.6947
Similarity to MM02484
| Tanimoto metric | 0.6947 |
|---|---|
| Cosine metric | 0.821 |
| Dice metric | 0.8198 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293920
Similarity: 0.6894
Similarity to MM293920
| Tanimoto metric | 0.6894 |
|---|---|
| Cosine metric | 0.8171 |
| Dice metric | 0.8161 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+310 more
