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DocumentationIdentifier: MM400564
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM400564 |
| SMILES |
COC(CO)C(C#N)CO
|
| InChIKey |
SAKPVFAKGOLZQM-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196885
Similarity: 0.7642
Similarity to MM196885
| Tanimoto metric | 0.7642 |
|---|---|
| Cosine metric | 0.8742 |
| Dice metric | 0.8664 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196958
Similarity: 0.7561
Similarity to MM196958
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.8611 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376471
Similarity: 0.7445
Similarity to MM376471
| Tanimoto metric | 0.7445 |
|---|---|
| Cosine metric | 0.8539 |
| Dice metric | 0.8536 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+249 more
