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DocumentationIdentifier: MM305282
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305282 |
| SMILES |
CC(=O)N(C)CC#CCN
|
| InChIKey |
NAYSGMPSRNLPNG-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
MM163084
Similarity: 0.8901
Similarity to MM163084
| Tanimoto metric | 0.8901 |
|---|---|
| Cosine metric | 0.9435 |
| Dice metric | 0.9419 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM394271
Similarity: 0.802
Similarity to MM394271
| Tanimoto metric | 0.802 |
|---|---|
| Cosine metric | 0.8901 |
| Dice metric | 0.8901 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305413
Similarity: 0.7961
Similarity to MM305413
| Tanimoto metric | 0.7961 |
|---|---|
| Cosine metric | 0.8866 |
| Dice metric | 0.8865 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+279 more
