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DocumentationIdentifier: MM86397
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM86397 |
| SMILES |
CC(C#CCO)N(C)C=O
|
| InChIKey |
GQOMTXHCIWWJOT-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174601
Similarity: 0.7925
Similarity to MM174601
| Tanimoto metric | 0.7925 |
|---|---|
| Cosine metric | 0.8902 |
| Dice metric | 0.8842 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158395
Similarity: 0.7453
Similarity to MM158395
| Tanimoto metric | 0.7453 |
|---|---|
| Cosine metric | 0.8633 |
| Dice metric | 0.8541 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357868
Similarity: 0.7059
Similarity to MM357868
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8284 |
| Dice metric | 0.8276 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+226 more
