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DocumentationIdentifier: MM460555
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM460555 |
| SMILES |
CN1CC1C(=O)CO
|
| InChIKey |
QLGGZPBLISUUHV-UHFFFAOYSA-N
|
| MW [Da] |
115.13
Automatically obtained from RDkit software. |
| LogP |
-1.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM460603
Similarity: 0.7654
Similarity to MM460603
| Tanimoto metric | 0.7654 |
|---|---|
| Cosine metric | 0.8749 |
| Dice metric | 0.8671 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM390899
Similarity: 0.6715
Similarity to MM390899
| Tanimoto metric | 0.6715 |
|---|---|
| Cosine metric | 0.8195 |
| Dice metric | 0.8035 |
| MW: | 99.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM460537
Similarity: 0.6569
Similarity to MM460537
| Tanimoto metric | 0.6569 |
|---|---|
| Cosine metric | 0.8105 |
| Dice metric | 0.793 |
| MW: | 101.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+116 more
