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DocumentationIdentifier: MM145681
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM145681 |
| SMILES |
CC1(C)NC1C(=O)CC#N
|
| InChIKey |
CDBPCRYSWDWYDN-UHFFFAOYSA-N
|
| MW [Da] |
138.17
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
MM412081
Similarity: 0.8119
Similarity to MM412081
| Tanimoto metric | 0.8119 |
|---|---|
| Cosine metric | 0.9011 |
| Dice metric | 0.8962 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146520
Similarity: 0.7523
Similarity to MM146520
| Tanimoto metric | 0.7523 |
|---|---|
| Cosine metric | 0.8673 |
| Dice metric | 0.8586 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM439132
Similarity: 0.7206
Similarity to MM439132
| Tanimoto metric | 0.7206 |
|---|---|
| Cosine metric | 0.8379 |
| Dice metric | 0.8376 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+59 more
