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DocumentationIdentifier: MM451742
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM451742 |
| SMILES |
C=CCC=CCOCC=C
|
| InChIKey |
UQPNOTHMMZMBBN-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM214806
Similarity: 0.9423
Similarity to MM214806
| Tanimoto metric | 0.9423 |
|---|---|
| Cosine metric | 0.9707 |
| Dice metric | 0.9703 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM456373
Similarity: 0.875
Similarity to MM456373
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9334 |
| Dice metric | 0.9333 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213778
Similarity: 0.8462
Similarity to MM213778
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+415 more
