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DocumentationIdentifier: MM55858
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM55858 |
| SMILES |
C=CCC(=CCN)NC=O
|
| InChIKey |
DKPZSOPELOLKDQ-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178954
Similarity: 0.7982
Similarity to MM178954
| Tanimoto metric | 0.7982 |
|---|---|
| Cosine metric | 0.8934 |
| Dice metric | 0.8878 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM55861
Similarity: 0.6815
Similarity to MM55861
| Tanimoto metric | 0.6815 |
|---|---|
| Cosine metric | 0.8106 |
| Dice metric | 0.8106 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304509
Similarity: 0.6549
Similarity to MM304509
| Tanimoto metric | 0.6549 |
|---|---|
| Cosine metric | 0.7918 |
| Dice metric | 0.7915 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+217 more
