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DocumentationIdentifier: MM358090
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358090 |
| SMILES |
CC=COC(=O)C=CCN
|
| InChIKey |
AFBWXRJXOSRBLZ-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM71813
Similarity: 0.883
Similarity to MM71813
| Tanimoto metric | 0.883 |
|---|---|
| Cosine metric | 0.9397 |
| Dice metric | 0.9379 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157448
Similarity: 0.7979
Similarity to MM157448
| Tanimoto metric | 0.7979 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8876 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281918
Similarity: 0.7545
Similarity to MM281918
| Tanimoto metric | 0.7545 |
|---|---|
| Cosine metric | 0.8604 |
| Dice metric | 0.8601 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+191 more
