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DocumentationIdentifier: MM280491
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280491 |
| SMILES |
C#CC=CCC(=C)CC=C
|
| InChIKey |
ZXGAZLLHUTUACX-UHFFFAOYSA-N
|
| MW [Da] |
132.21
Automatically obtained from RDkit software. |
| LogP |
2.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168713
Similarity: 0.9118
Similarity to MM168713
| Tanimoto metric | 0.9118 |
|---|---|
| Cosine metric | 0.9549 |
| Dice metric | 0.9538 |
| MW: | 120.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375113
Similarity: 0.7848
Similarity to MM375113
| Tanimoto metric | 0.7848 |
|---|---|
| Cosine metric | 0.88 |
| Dice metric | 0.8794 |
| MW: | 134.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280552
Similarity: 0.7683
Similarity to MM280552
| Tanimoto metric | 0.7683 |
|---|---|
| Cosine metric | 0.8706 |
| Dice metric | 0.869 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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