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DocumentationIdentifier: MM162757
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162757 |
| SMILES |
C=C(C)C(=C)OCC#N
|
| InChIKey |
IVWZZUFMSVRZSF-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
1.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM108502
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| Tanimoto metric | 0.7553 |
|---|---|
| Cosine metric | 0.8691 |
| Dice metric | 0.8606 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246707
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| Tanimoto metric | 0.7344 |
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| Cosine metric | 0.857 |
| Dice metric | 0.8468 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM352553
Similarity: 0.7287
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| Tanimoto metric | 0.7287 |
|---|---|
| Cosine metric | 0.8536 |
| Dice metric | 0.843 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+118 more
