Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM298857
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM298857 |
| SMILES |
C=C(C(=O)CC#N)C(C)C
|
| InChIKey |
VYPDVAPVQWIJLQ-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 |
Similar entries
MM173682
Similarity: 0.7778
Similarity to MM173682
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM161153
Similarity: 0.7265
Similarity to MM161153
| Tanimoto metric | 0.7265 |
|---|---|
| Cosine metric | 0.8523 |
| Dice metric | 0.8416 |
| 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
|
+266 more
