Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM296837
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296837 |
| SMILES |
CC=CC(=O)C(C)=CC#N
|
| InChIKey |
PRVZGPQSHSJFAN-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
1.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175620
Similarity: 0.8596
Similarity to MM175620
| Tanimoto metric | 0.8596 |
|---|---|
| Cosine metric | 0.9272 |
| Dice metric | 0.9245 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300866
Similarity: 0.7681
Similarity to MM300866
| Tanimoto metric | 0.7681 |
|---|---|
| Cosine metric | 0.8707 |
| Dice metric | 0.8689 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175005
Similarity: 0.7368
Similarity to MM175005
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+275 more
