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DocumentationIdentifier: MM346282
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM346282 |
| SMILES |
CC1(C#N)CN1CCC=O
|
| InChIKey |
VMIKMNPWTOOGMW-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 |
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MM177137
Similarity: 0.865
Similarity to MM177137
| Tanimoto metric | 0.865 |
|---|---|
| Cosine metric | 0.9301 |
| Dice metric | 0.9276 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM271646
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| Tanimoto metric | 0.8363 |
|---|---|
| Cosine metric | 0.9115 |
| Dice metric | 0.9108 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM373287
Similarity: 0.8294
Similarity to MM373287
| Tanimoto metric | 0.8294 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9068 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+108 more
