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DocumentationIdentifier: MM69328
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM69328 |
| SMILES |
CC(CCO)OCCC#N
|
| InChIKey |
ALPWSCJAWDFIDD-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165845
Similarity: 0.7778
Similarity to MM165845
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69301
Similarity: 0.7568
Similarity to MM69301
| Tanimoto metric | 0.7568 |
|---|---|
| Cosine metric | 0.8666 |
| Dice metric | 0.8615 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69357
Similarity: 0.7561
Similarity to MM69357
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8611 |
| Dice metric | 0.8611 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+721 more
