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DocumentationIdentifier: MM250538
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250538 |
| SMILES |
CC(O)CCC(O)CC#N
|
| InChIKey |
QMEMDWKYOPYHAE-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
MM291381
Similarity: 0.8356
Similarity to MM291381
| Tanimoto metric | 0.8356 |
|---|---|
| Cosine metric | 0.9121 |
| Dice metric | 0.9104 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155850
Similarity: 0.831
Similarity to MM155850
| Tanimoto metric | 0.831 |
|---|---|
| Cosine metric | 0.9116 |
| Dice metric | 0.9077 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291382
Similarity: 0.7662
Similarity to MM291382
| Tanimoto metric | 0.7662 |
|---|---|
| Cosine metric | 0.8685 |
| Dice metric | 0.8676 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+448 more
