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DocumentationIdentifier: MM67891
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67891 |
| SMILES |
CC(O)CN(C=O)C(C)C
|
| InChIKey |
NKILTKLDXSJFMI-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM149781
Similarity: 0.7748
Similarity to MM149781
| Tanimoto metric | 0.7748 |
|---|---|
| Cosine metric | 0.8802 |
| Dice metric | 0.8731 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94140
Similarity: 0.687
Similarity to MM94140
| Tanimoto metric | 0.687 |
|---|---|
| Cosine metric | 0.8145 |
| Dice metric | 0.8145 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52178
Similarity: 0.6577
Similarity to MM52178
| Tanimoto metric | 0.6577 |
|---|---|
| Cosine metric | 0.811 |
| Dice metric | 0.7935 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+238 more
