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DocumentationIdentifier: MM91529
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91529 |
| SMILES |
CNCCC(C)N(C)C=O
|
| InChIKey |
GLASYVJAFZNLLR-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM58554
Similarity: 0.7766
Similarity to MM58554
| Tanimoto metric | 0.7766 |
|---|---|
| Cosine metric | 0.8769 |
| Dice metric | 0.8743 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67746
Similarity: 0.7766
Similarity to MM67746
| Tanimoto metric | 0.7766 |
|---|---|
| Cosine metric | 0.8769 |
| Dice metric | 0.8743 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111588
Similarity: 0.6444
Similarity to MM111588
| Tanimoto metric | 0.6444 |
|---|---|
| Cosine metric | 0.8028 |
| Dice metric | 0.7838 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+421 more
