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DocumentationIdentifier: MM245139
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245139 |
| SMILES |
CC(CN)CC(C)C(N)=O
|
| InChIKey |
XFCOMTVRSBWXNK-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM78746
Similarity: 0.9012
Similarity to MM78746
| Tanimoto metric | 0.9012 |
|---|---|
| Cosine metric | 0.9493 |
| Dice metric | 0.9481 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM342150
Similarity: 0.8765
Similarity to MM342150
| Tanimoto metric | 0.8765 |
|---|---|
| Cosine metric | 0.9362 |
| Dice metric | 0.9342 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM340397
Similarity: 0.7614
Similarity to MM340397
| Tanimoto metric | 0.7614 |
|---|---|
| Cosine metric | 0.8654 |
| Dice metric | 0.8645 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+684 more
