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DocumentationIdentifier: MM93208
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM93208 |
| SMILES |
CNCC(C)CNC(C)=O
|
| InChIKey |
HPMSBFYZVCZPDY-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM73727
Similarity: 0.8974
Similarity to MM73727
| Tanimoto metric | 0.8974 |
|---|---|
| Cosine metric | 0.9473 |
| Dice metric | 0.9459 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM340484
Similarity: 0.8642
Similarity to MM340484
| Tanimoto metric | 0.8642 |
|---|---|
| Cosine metric | 0.9277 |
| Dice metric | 0.9272 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227974
Similarity: 0.7609
Similarity to MM227974
| Tanimoto metric | 0.7609 |
|---|---|
| Cosine metric | 0.8648 |
| Dice metric | 0.8642 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+437 more
