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DocumentationIdentifier: MM359237
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM359237 |
| SMILES |
CC#CCC(C)C#CC#N
|
| InChIKey |
HTNHRXODERTJPK-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
1.56
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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| Tanimoto metric | 0.9375 |
|---|---|
| Cosine metric | 0.9682 |
| Dice metric | 0.9677 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM281338
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| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9525 |
| Dice metric | 0.9524 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM358059
Similarity: 0.8378
Similarity to MM358059
| Tanimoto metric | 0.8378 |
|---|---|
| Cosine metric | 0.9133 |
| Dice metric | 0.9118 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+545 more
