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DocumentationIdentifier: MM392499
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392499 |
| SMILES |
C#CCNC(CO)C(C)C
|
| InChIKey |
SPDWOPDTIYAZPC-UHFFFAOYSA-N
|
| MW [Da] |
141.21
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
MM179614
Similarity: 0.8061
Similarity to MM179614
| Tanimoto metric | 0.8061 |
|---|---|
| Cosine metric | 0.8978 |
| Dice metric | 0.8927 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM392284
Similarity: 0.7182
Similarity to MM392284
| Tanimoto metric | 0.7182 |
|---|---|
| Cosine metric | 0.8366 |
| Dice metric | 0.836 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM392424
Similarity: 0.681
Similarity to MM392424
| Tanimoto metric | 0.681 |
|---|---|
| Cosine metric | 0.8103 |
| Dice metric | 0.8103 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+523 more
