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DocumentationIdentifier: MM287155
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM287155 |
| SMILES |
N=C(N)CCCCCC=O
|
| InChIKey |
MOSVQGUAKUWDFR-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM105612
Similarity: 0.697
Similarity to MM105612
| Tanimoto metric | 0.697 |
|---|---|
| Cosine metric | 0.8348 |
| Dice metric | 0.8214 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133080
Similarity: 0.6829
Similarity to MM133080
| Tanimoto metric | 0.6829 |
|---|---|
| Cosine metric | 0.8124 |
| Dice metric | 0.8116 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM105709
Similarity: 0.6761
Similarity to MM105709
| Tanimoto metric | 0.6761 |
|---|---|
| Cosine metric | 0.8116 |
| Dice metric | 0.8067 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+382 more
