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DocumentationIdentifier: MM420120
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420120 |
| SMILES |
CNCC=CCC1CN1C
|
| InChIKey |
SHELGKHJFAIZGD-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM447532
Similarity: 0.7647
Similarity to MM447532
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.8667 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM195584
Similarity: 0.7402
Similarity to MM195584
| Tanimoto metric | 0.7402 |
|---|---|
| Cosine metric | 0.8509 |
| Dice metric | 0.8507 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM195585
Similarity: 0.7323
Similarity to MM195585
| Tanimoto metric | 0.7323 |
|---|---|
| Cosine metric | 0.8456 |
| Dice metric | 0.8455 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+130 more
