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DocumentationIdentifier: MM235699
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM235699 |
| SMILES |
CC(=O)OCCNC(C)C
|
| InChIKey |
MQNQUCSOQMODAD-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM66179
Similarity: 0.8571
Similarity to MM66179
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM287127
Similarity: 0.8148
Similarity to MM287127
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.899 |
| Dice metric | 0.898 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM287263
Similarity: 0.7614
Similarity to MM287263
| Tanimoto metric | 0.7614 |
|---|---|
| Cosine metric | 0.8645 |
| Dice metric | 0.8645 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+279 more
