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DocumentationIdentifier: MM356216
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM356216 |
| SMILES |
CC1(C=O)CN1CC=O
|
| InChIKey |
BKWHQCBNJWYLKV-UHFFFAOYSA-N
|
| MW [Da] |
127.14
Automatically obtained from RDkit software. |
| LogP |
-0.54
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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MM147658
Similarity: 0.8
Similarity to MM147658
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8889 |
| Dice metric | 0.8889 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM177136
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| Tanimoto metric | 0.7516 |
|---|---|
| Cosine metric | 0.8582 |
| Dice metric | 0.8582 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM271645
Similarity: 0.7321
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| Tanimoto metric | 0.7321 |
|---|---|
| Cosine metric | 0.8462 |
| Dice metric | 0.8454 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+158 more
