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DocumentationIdentifier: MM315556
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM315556 |
| SMILES |
CN1CC1CCC(N)=O
|
| InChIKey |
NEGLZXPZTUETBO-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
-0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM354419
Similarity: 0.725
Similarity to MM354419
| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8515 |
| Dice metric | 0.8406 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM124718
Similarity: 0.6417
Similarity to MM124718
| Tanimoto metric | 0.6417 |
|---|---|
| Cosine metric | 0.801 |
| Dice metric | 0.7817 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354781
Similarity: 0.6027
Similarity to MM354781
| Tanimoto metric | 0.6027 |
|---|---|
| Cosine metric | 0.7524 |
| Dice metric | 0.7521 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+150 more
