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DocumentationIdentifier: MM353403
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM353403 |
| SMILES |
CC1(C#N)CN1CC=O
|
| InChIKey |
ZZRLCOGBTPNMOF-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
-0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM407591
Similarity: 0.7824
Similarity to MM407591
| Tanimoto metric | 0.7824 |
|---|---|
| Cosine metric | 0.8845 |
| Dice metric | 0.8779 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM415349
Similarity: 0.7295
Similarity to MM415349
| Tanimoto metric | 0.7295 |
|---|---|
| Cosine metric | 0.8541 |
| Dice metric | 0.8436 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM433705
Similarity: 0.6959
Similarity to MM433705
| Tanimoto metric | 0.6959 |
|---|---|
| Cosine metric | 0.8342 |
| Dice metric | 0.8207 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+119 more
