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DocumentationIdentifier: MM215539
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM215539 |
| SMILES |
C=CCC=CC=COC
|
| InChIKey |
UOUMMSBOKBJHSL-UHFFFAOYSA-N
|
| MW [Da] |
124.18
Automatically obtained from RDkit software. |
| LogP |
2.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126495
Similarity: 0.8776
Similarity to MM126495
| Tanimoto metric | 0.8776 |
|---|---|
| Cosine metric | 0.9368 |
| Dice metric | 0.9348 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM454998
Similarity: 0.8596
Similarity to MM454998
| Tanimoto metric | 0.8596 |
|---|---|
| Cosine metric | 0.9272 |
| Dice metric | 0.9245 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215547
Similarity: 0.7544
Similarity to MM215547
| Tanimoto metric | 0.7544 |
|---|---|
| Cosine metric | 0.8602 |
| Dice metric | 0.86 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+507 more
