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DocumentationIdentifier: MM57256
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM57256 |
| SMILES |
CC(O)CC(C)(O)CC#N
|
| InChIKey |
MPSBRJYDRQXBEB-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM221117
Similarity: 0.7607
Similarity to MM221117
| Tanimoto metric | 0.7607 |
|---|---|
| Cosine metric | 0.8667 |
| Dice metric | 0.8641 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132359
Similarity: 0.7117
Similarity to MM132359
| Tanimoto metric | 0.7117 |
|---|---|
| Cosine metric | 0.8436 |
| Dice metric | 0.8316 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130599
Similarity: 0.6757
Similarity to MM130599
| Tanimoto metric | 0.6757 |
|---|---|
| Cosine metric | 0.822 |
| Dice metric | 0.8065 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+222 more
