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DocumentationIdentifier: MM150288
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM150288 |
| SMILES |
CN1CC1C(=O)CC#N
|
| InChIKey |
DJDUMELDGCUHRG-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
MM454750
Similarity: 0.7702
Similarity to MM454750
| Tanimoto metric | 0.7702 |
|---|---|
| Cosine metric | 0.8776 |
| Dice metric | 0.8702 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM147198
Similarity: 0.6894
Similarity to MM147198
| Tanimoto metric | 0.6894 |
|---|---|
| Cosine metric | 0.8303 |
| Dice metric | 0.8162 |
| MW: | 110.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149428
Similarity: 0.6708
Similarity to MM149428
| Tanimoto metric | 0.6708 |
|---|---|
| Cosine metric | 0.819 |
| Dice metric | 0.803 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+63 more
