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DocumentationIdentifier: MM417087
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM417087 |
| SMILES |
C=CCC(O)CC(=C)CC
|
| InChIKey |
DJXJUCZCSOOTEO-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM407493
Similarity: 0.8764
Similarity to MM407493
| Tanimoto metric | 0.8764 |
|---|---|
| Cosine metric | 0.9343 |
| Dice metric | 0.9341 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406987
Similarity: 0.8706
Similarity to MM406987
| Tanimoto metric | 0.8706 |
|---|---|
| Cosine metric | 0.9331 |
| Dice metric | 0.9308 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM421298
Similarity: 0.7778
Similarity to MM421298
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8755 |
| Dice metric | 0.875 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+490 more
