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DocumentationIdentifier: MM42754
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42754 |
| SMILES |
COC(C)CC(O)C#N
|
| InChIKey |
FYKWWXSDCHWSIU-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM326751
Similarity: 0.8602
Similarity to MM326751
| Tanimoto metric | 0.8602 |
|---|---|
| Cosine metric | 0.9275 |
| Dice metric | 0.9249 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79730
Similarity: 0.8511
Similarity to MM79730
| Tanimoto metric | 0.8511 |
|---|---|
| Cosine metric | 0.9225 |
| Dice metric | 0.9195 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44409
Similarity: 0.8222
Similarity to MM44409
| Tanimoto metric | 0.8222 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.9024 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+574 more
