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DocumentationIdentifier: MM63781
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM63781 |
| SMILES |
CCC(=O)N(C)C=CCN
|
| InChIKey |
AQJGASHAJPUIOB-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.33
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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MM174179
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Similarity to MM174179
| Tanimoto metric | 0.8376 |
|---|---|
| Cosine metric | 0.9152 |
| Dice metric | 0.9116 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62461
Similarity: 0.7353
Similarity to MM62461
| Tanimoto metric | 0.7353 |
|---|---|
| Cosine metric | 0.8475 |
| Dice metric | 0.8475 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355863
Similarity: 0.7122
Similarity to MM355863
| Tanimoto metric | 0.7122 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8319 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+527 more
