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DocumentationIdentifier: MM295315
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295315 |
| SMILES |
CC#CC(=O)N(C)CCN
|
| InChIKey |
UYMWRYKHSVYFOH-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172846
Similarity: 0.8
Similarity to MM172846
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377983
Similarity: 0.7244
Similarity to MM377983
| Tanimoto metric | 0.7244 |
|---|---|
| Cosine metric | 0.8412 |
| Dice metric | 0.8402 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM413662
Similarity: 0.7236
Similarity to MM413662
| Tanimoto metric | 0.7236 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8396 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+276 more
