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DocumentationIdentifier: MM281224
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281224 |
| SMILES |
C#CCC(=O)CC#CC=C
|
| InChIKey |
VNXGVIDZTFHBDV-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM169250
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| Tanimoto metric | 0.9178 |
|---|---|
| Cosine metric | 0.958 |
| Dice metric | 0.9571 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM362573
Similarity: 0.7976
Similarity to MM362573
| Tanimoto metric | 0.7976 |
|---|---|
| Cosine metric | 0.8879 |
| Dice metric | 0.8874 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM281105
Similarity: 0.7701
Similarity to MM281105
| Tanimoto metric | 0.7701 |
|---|---|
| Cosine metric | 0.8713 |
| Dice metric | 0.8701 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+342 more
