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DocumentationIdentifier: MM236966
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236966 |
| SMILES |
C=CCCC(=O)CC(=C)C
|
| InChIKey |
IALNTPPVDRNFPA-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM251190
Similarity: 0.8375
Similarity to MM251190
| Tanimoto metric | 0.8375 |
|---|---|
| Cosine metric | 0.9116 |
| Dice metric | 0.9116 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263570
Similarity: 0.8161
Similarity to MM263570
| Tanimoto metric | 0.8161 |
|---|---|
| Cosine metric | 0.9013 |
| Dice metric | 0.8987 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104536
Similarity: 0.7808
Similarity to MM104536
| Tanimoto metric | 0.7808 |
|---|---|
| Cosine metric | 0.8836 |
| Dice metric | 0.8769 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+693 more
