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DocumentationIdentifier: MM301513
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301513 |
| SMILES |
CCCCNC(C)C(N)=O
|
| InChIKey |
RKZMJMGKIOXABK-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162178
Similarity: 0.8557
Similarity to MM162178
| Tanimoto metric | 0.8557 |
|---|---|
| Cosine metric | 0.925 |
| Dice metric | 0.9222 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245253
Similarity: 0.7328
Similarity to MM245253
| Tanimoto metric | 0.7328 |
|---|---|
| Cosine metric | 0.8463 |
| Dice metric | 0.8458 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57056
Similarity: 0.6774
Similarity to MM57056
| Tanimoto metric | 0.6774 |
|---|---|
| Cosine metric | 0.8095 |
| Dice metric | 0.8077 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+112 more
