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DocumentationIdentifier: MM294079
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294079 |
| SMILES |
C#CCC(=C)C(=C)CCC
|
| InChIKey |
RPYLXOKQXGTVPK-UHFFFAOYSA-N
|
| MW [Da] |
134.22
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
MM173773
Similarity: 0.8293
Similarity to MM173773
| Tanimoto metric | 0.8293 |
|---|---|
| Cosine metric | 0.9106 |
| Dice metric | 0.9067 |
| MW: | 120.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352144
Similarity: 0.8276
Similarity to MM352144
| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9061 |
| Dice metric | 0.9057 |
| MW: | 134.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294206
Similarity: 0.8095
Similarity to MM294206
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8975 |
| Dice metric | 0.8947 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+650 more
