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DocumentationIdentifier: MM287691
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM287691 |
| SMILES |
CC=CC(=O)N(C)CCO
|
| InChIKey |
XUSCNIKMXDGQQQ-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM287647
Similarity: 0.8246
Similarity to MM287647
| Tanimoto metric | 0.8246 |
|---|---|
| Cosine metric | 0.9081 |
| Dice metric | 0.9038 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174384
Similarity: 0.7456
Similarity to MM174384
| Tanimoto metric | 0.7456 |
|---|---|
| Cosine metric | 0.8635 |
| Dice metric | 0.8543 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM412578
Similarity: 0.6967
Similarity to MM412578
| Tanimoto metric | 0.6967 |
|---|---|
| Cosine metric | 0.8255 |
| Dice metric | 0.8213 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+332 more
