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DocumentationIdentifier: MM113591
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113591 |
| SMILES |
C=C(CC)CC=CC
|
| InChIKey |
HXLAPKDQPVDUSQ-UHFFFAOYSA-N
|
| MW [Da] |
110.2
Automatically obtained from RDkit software. |
| LogP |
2.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156913
Similarity: 0.88
Similarity to MM156913
| Tanimoto metric | 0.88 |
|---|---|
| Cosine metric | 0.9381 |
| Dice metric | 0.9362 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168450
Similarity: 0.88
Similarity to MM168450
| Tanimoto metric | 0.88 |
|---|---|
| Cosine metric | 0.9381 |
| Dice metric | 0.9362 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM373105
Similarity: 0.8462
Similarity to MM373105
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+629 more
