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DocumentationIdentifier: MM153995
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM153995 |
| SMILES |
N#CCC(=O)CN1CC1
|
| InChIKey |
JTVSXJZHYCHDKD-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
-0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM121038
Similarity: 0.785
Similarity to MM121038
| Tanimoto metric | 0.785 |
|---|---|
| Cosine metric | 0.886 |
| Dice metric | 0.8796 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153861
Similarity: 0.7589
Similarity to MM153861
| Tanimoto metric | 0.7589 |
|---|---|
| Cosine metric | 0.8711 |
| Dice metric | 0.8629 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM193930
Similarity: 0.6855
Similarity to MM193930
| Tanimoto metric | 0.6855 |
|---|---|
| Cosine metric | 0.8136 |
| Dice metric | 0.8134 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+25 more
