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DocumentationIdentifier: MM441014
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM441014 |
| SMILES |
CCC(=O)C(C)NCC#N
|
| InChIKey |
LWOOFDUJZJYQCW-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172418
Similarity: 0.8018
Similarity to MM172418
| Tanimoto metric | 0.8018 |
|---|---|
| Cosine metric | 0.8954 |
| Dice metric | 0.89 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59632
Similarity: 0.746
Similarity to MM59632
| Tanimoto metric | 0.746 |
|---|---|
| Cosine metric | 0.8546 |
| Dice metric | 0.8545 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348990
Similarity: 0.7417
Similarity to MM348990
| Tanimoto metric | 0.7417 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8517 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+186 more
