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DocumentationIdentifier: MM375385
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM375385 |
| SMILES |
CC1N(CC#N)C1(C)C=O
|
| InChIKey |
MHQCRAVZBORWDT-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM176527
Similarity: 0.8394
Similarity to MM176527
| Tanimoto metric | 0.8394 |
|---|---|
| Cosine metric | 0.9162 |
| Dice metric | 0.9127 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM271486
Similarity: 0.7657
Similarity to MM271486
| Tanimoto metric | 0.7657 |
|---|---|
| Cosine metric | 0.8678 |
| Dice metric | 0.8673 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375276
Similarity: 0.7562
Similarity to MM375276
| Tanimoto metric | 0.7562 |
|---|---|
| Cosine metric | 0.8615 |
| Dice metric | 0.8612 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+116 more
