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DocumentationIdentifier: MM364453
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM364453 |
| SMILES |
C=CC(=C)C=COCCC
|
| InChIKey |
KDSQMGURXKDOLH-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169973
Similarity: 0.9041
Similarity to MM169973
| Tanimoto metric | 0.9041 |
|---|---|
| Cosine metric | 0.9508 |
| Dice metric | 0.9496 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154132
Similarity: 0.8356
Similarity to MM154132
| Tanimoto metric | 0.8356 |
|---|---|
| Cosine metric | 0.9141 |
| Dice metric | 0.9104 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364457
Similarity: 0.7765
Similarity to MM364457
| Tanimoto metric | 0.7765 |
|---|---|
| Cosine metric | 0.8747 |
| Dice metric | 0.8742 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+305 more
