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DocumentationIdentifier: MM112122
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM112122 |
| SMILES |
C=CC(=C)C(=C)CC
|
| InChIKey |
GXIMWEOQOOJXAA-UHFFFAOYSA-N
|
| MW [Da] |
108.18
Automatically obtained from RDkit software. |
| LogP |
2.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM109179
Similarity: 0.8077
Similarity to MM109179
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8938 |
| Dice metric | 0.8936 |
| MW: | 108.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173832
Similarity: 0.8
Similarity to MM173832
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 120.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173791
Similarity: 0.8
Similarity to MM173791
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+380 more
