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DocumentationIdentifier: MM257723
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM257723 |
| SMILES |
CC(CN)CCCC(N)=O
|
| InChIKey |
PKMDLLYKNSQEJV-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM345995
Similarity: 0.8286
Similarity to MM345995
| Tanimoto metric | 0.8286 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9063 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85907
Similarity: 0.8193
Similarity to MM85907
| Tanimoto metric | 0.8193 |
|---|---|
| Cosine metric | 0.9031 |
| Dice metric | 0.9007 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304312
Similarity: 0.7857
Similarity to MM304312
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.882 |
| Dice metric | 0.88 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+751 more
