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DocumentationIdentifier: MM236591
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236591 |
| SMILES |
CNCCC(C)NC(C)=O
|
| InChIKey |
UUBOPQBCFOSBND-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135227
Similarity: 0.8696
Similarity to MM135227
| Tanimoto metric | 0.8696 |
|---|---|
| Cosine metric | 0.9325 |
| Dice metric | 0.9302 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM257806
Similarity: 0.7549
Similarity to MM257806
| Tanimoto metric | 0.7549 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8603 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72470
Similarity: 0.7407
Similarity to MM72470
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8513 |
| Dice metric | 0.8511 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+549 more
