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DocumentationIdentifier: MM304512
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304512 |
| SMILES |
CCC=CCC(=O)N(C)C
|
| InChIKey |
IYIAYDOBDLJVRC-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM23583
Similarity: 0.802
Similarity to MM23583
| Tanimoto metric | 0.802 |
|---|---|
| Cosine metric | 0.8902 |
| Dice metric | 0.8901 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304514
Similarity: 0.802
Similarity to MM304514
| Tanimoto metric | 0.802 |
|---|---|
| Cosine metric | 0.8902 |
| Dice metric | 0.8901 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168473
Similarity: 0.8
Similarity to MM168473
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+449 more
