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DocumentationIdentifier: MM294103
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294103 |
| SMILES |
C=CCC(=C)C(=C)CC=O
|
| InChIKey |
MKBHRDBMWYGXJZ-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173670
Similarity: 0.7556
Similarity to MM173670
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8692 |
| Dice metric | 0.8608 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294107
Similarity: 0.7391
Similarity to MM294107
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8567 |
| Dice metric | 0.85 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299065
Similarity: 0.6786
Similarity to MM299065
| Tanimoto metric | 0.6786 |
|---|---|
| Cosine metric | 0.8092 |
| Dice metric | 0.8085 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+238 more
