Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM214053
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM214053 |
| SMILES |
CC=COCC=CC#N
|
| InChIKey |
CEIUUKJVHMPZBM-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
1.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM450360
Similarity: 0.8871
Similarity to MM450360
| Tanimoto metric | 0.8871 |
|---|---|
| Cosine metric | 0.9419 |
| Dice metric | 0.9402 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM450478
Similarity: 0.873
Similarity to MM450478
| Tanimoto metric | 0.873 |
|---|---|
| Cosine metric | 0.9344 |
| Dice metric | 0.9322 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126211
Similarity: 0.8545
Similarity to MM126211
| Tanimoto metric | 0.8545 |
|---|---|
| Cosine metric | 0.9244 |
| Dice metric | 0.9216 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+525 more
