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DocumentationIdentifier: MM429548
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM429548 |
| SMILES |
CC=C(C=O)C=CCCC
|
| InChIKey |
QIDVGIHFEXCMLR-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
MM201039
Similarity: 0.8333
Similarity to MM201039
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM429852
Similarity: 0.766
Similarity to MM429852
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8675 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM429865
Similarity: 0.7609
Similarity to MM429865
| Tanimoto metric | 0.7609 |
|---|---|
| Cosine metric | 0.8648 |
| Dice metric | 0.8642 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+454 more
