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DocumentationIdentifier: MM239370
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239370 |
| SMILES |
CCC(C)(C)CCCC#N
|
| InChIKey |
VQTCSYDDLRGATG-UHFFFAOYSA-N
|
| MW [Da] |
139.24
Automatically obtained from RDkit software. |
| LogP |
3.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165660
Similarity: 0.7778
Similarity to MM165660
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8607 |
| Dice metric | 0.8511 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.73 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM402324
Similarity: 0.7241
Similarity to MM402324
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.84 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+243 more
