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DocumentationIdentifier: MM105709
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM105709 |
| SMILES |
N=C(N)CCCC=O
|
| InChIKey |
YEWIBWOAWSMINV-UHFFFAOYSA-N
|
| MW [Da] |
114.15
Automatically obtained from RDkit software. |
| LogP |
0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133080
Similarity: 0.7361
Similarity to MM133080
| Tanimoto metric | 0.7361 |
|---|---|
| Cosine metric | 0.858 |
| Dice metric | 0.848 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM287155
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| Tanimoto metric | 0.6761 |
|---|---|
| Cosine metric | 0.8116 |
| Dice metric | 0.8067 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.07 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM105612
Similarity: 0.623
Similarity to MM105612
| Tanimoto metric | 0.623 |
|---|---|
| Cosine metric | 0.7696 |
| Dice metric | 0.7677 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+286 more
