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DocumentationIdentifier: MM431522
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM431522 |
| SMILES |
CCC1(C=O)CN1CCF
|
| InChIKey |
NYMWCSRLTXXDCW-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM336233
Similarity: 0.7654
Similarity to MM336233
| Tanimoto metric | 0.7654 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8671 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357032
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Similarity to MM357032
| Tanimoto metric | 0.7551 |
|---|---|
| Cosine metric | 0.8608 |
| Dice metric | 0.8605 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM177140
Similarity: 0.6923
Similarity to MM177140
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8182 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+107 more
