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DocumentationIdentifier: MM229479
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229479 |
| SMILES |
C=C(C)CC(C)(C=O)C=O
|
| InChIKey |
LPVWDTKLVZNCCJ-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130808
Similarity: 0.8506
Similarity to MM130808
| Tanimoto metric | 0.8506 |
|---|---|
| Cosine metric | 0.9223 |
| Dice metric | 0.9193 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15735
Similarity: 0.7586
Similarity to MM15735
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.8627 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227059
Similarity: 0.7048
Similarity to MM227059
| Tanimoto metric | 0.7048 |
|---|---|
| Cosine metric | 0.8271 |
| Dice metric | 0.8268 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+468 more
