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DocumentationIdentifier: MM400824
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM400824 |
| SMILES |
C=CCC(=C)C(C)(O)C=C
|
| InChIKey |
NVESGFLHHVGRNO-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM370906
Similarity: 0.7464
Similarity to MM370906
| Tanimoto metric | 0.7464 |
|---|---|
| Cosine metric | 0.8554 |
| Dice metric | 0.8548 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM411528
Similarity: 0.736
Similarity to MM411528
| Tanimoto metric | 0.736 |
|---|---|
| Cosine metric | 0.8579 |
| Dice metric | 0.8479 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242365
Similarity: 0.6481
Similarity to MM242365
| Tanimoto metric | 0.6481 |
|---|---|
| Cosine metric | 0.7881 |
| Dice metric | 0.7865 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+187 more
