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DocumentationIdentifier: MM369071
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM369071 |
| SMILES |
NCC=CCNC(=O)CN
|
| InChIKey |
WJHGPAPEBPNQQL-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
-1.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM33481
Similarity: 0.6711
Similarity to MM33481
| Tanimoto metric | 0.6711 |
|---|---|
| Cosine metric | 0.8192 |
| Dice metric | 0.8031 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156290
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Similarity to MM156290
| Tanimoto metric | 0.6517 |
|---|---|
| Cosine metric | 0.7896 |
| Dice metric | 0.7891 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM61050
Similarity: 0.6186
Similarity to MM61050
| Tanimoto metric | 0.6186 |
|---|---|
| Cosine metric | 0.7647 |
| Dice metric | 0.7643 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+309 more
