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DocumentationIdentifier: MM58743
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58743 |
| SMILES |
CC(O)(CC#N)C(O)C#N
|
| InChIKey |
FKBXCGAJTQPTKY-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41500
Similarity: 0.8361
Similarity to MM41500
| Tanimoto metric | 0.8361 |
|---|---|
| Cosine metric | 0.9144 |
| Dice metric | 0.9107 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40461
Similarity: 0.8115
Similarity to MM40461
| Tanimoto metric | 0.8115 |
|---|---|
| Cosine metric | 0.9008 |
| Dice metric | 0.8959 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76602
Similarity: 0.7669
Similarity to MM76602
| Tanimoto metric | 0.7669 |
|---|---|
| Cosine metric | 0.8687 |
| Dice metric | 0.8681 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+101 more
