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DocumentationIdentifier: MM176972
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM176972 |
| SMILES |
CCC1(C)NC1CC#N
|
| InChIKey |
TVMSKTOMDYJIHY-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
1.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM430901
Similarity: 0.9114
Similarity to MM430901
| Tanimoto metric | 0.9114 |
|---|---|
| Cosine metric | 0.9547 |
| Dice metric | 0.9536 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302703
Similarity: 0.7912
Similarity to MM302703
| Tanimoto metric | 0.7912 |
|---|---|
| Cosine metric | 0.8895 |
| Dice metric | 0.8834 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM301701
Similarity: 0.7461
Similarity to MM301701
| Tanimoto metric | 0.7461 |
|---|---|
| Cosine metric | 0.8638 |
| Dice metric | 0.8546 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+150 more
