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DocumentationIdentifier: MM456935
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM456935 |
| SMILES |
C=CC=CC=COCCO
|
| InChIKey |
KXYXYBQDLGMNCV-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215141
Similarity: 0.9138
Similarity to MM215141
| Tanimoto metric | 0.9138 |
|---|---|
| Cosine metric | 0.9559 |
| Dice metric | 0.955 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452038
Similarity: 0.8281
Similarity to MM452038
| Tanimoto metric | 0.8281 |
|---|---|
| Cosine metric | 0.906 |
| Dice metric | 0.906 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM96284
Similarity: 0.7794
Similarity to MM96284
| Tanimoto metric | 0.7794 |
|---|---|
| Cosine metric | 0.8768 |
| Dice metric | 0.876 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+561 more
