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DocumentationIdentifier: MM383380
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383380 |
| SMILES |
C=CC=C(C=C)CC=CC
|
| InChIKey |
SHPKFTUZUIZICZ-UHFFFAOYSA-N
|
| MW [Da] |
134.22
Automatically obtained from RDkit software. |
| LogP |
3.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM420592
Similarity: 0.85
Similarity to MM420592
| Tanimoto metric | 0.85 |
|---|---|
| Cosine metric | 0.9193 |
| Dice metric | 0.9189 |
| MW: | 134.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200381
Similarity: 0.8421
Similarity to MM200381
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179232
Similarity: 0.8158
Similarity to MM179232
| Tanimoto metric | 0.8158 |
|---|---|
| Cosine metric | 0.9032 |
| Dice metric | 0.8986 |
| MW: | 120.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+474 more
