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DocumentationIdentifier: MM171784
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171784 |
| SMILES |
NCCC(O)C(N)CF
|
| InChIKey |
DDLKUZPWNHIJDT-UHFFFAOYSA-N
|
| MW [Da] |
136.17
Automatically obtained from RDkit software. |
| LogP |
-1.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM111489
Similarity: 0.7813
Similarity to MM111489
| Tanimoto metric | 0.7813 |
|---|---|
| Cosine metric | 0.8839 |
| Dice metric | 0.8772 |
| MW: | 121.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348228
Similarity: 0.6957
Similarity to MM348228
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.8341 |
| Dice metric | 0.8205 |
| MW: | 152.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40804
Similarity: 0.693
Similarity to MM40804
| Tanimoto metric | 0.693 |
|---|---|
| Cosine metric | 0.8187 |
| Dice metric | 0.8187 |
| MW: | 135.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+447 more
