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DocumentationIdentifier: MM251871
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251871 |
| SMILES |
CC(=N)NCC(C)=CCO
|
| InChIKey |
FEKAZMLQJHNWMF-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145309
Similarity: 0.7944
Similarity to MM145309
| Tanimoto metric | 0.7944 |
|---|---|
| Cosine metric | 0.8913 |
| Dice metric | 0.8854 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158830
Similarity: 0.7383
Similarity to MM158830
| Tanimoto metric | 0.7383 |
|---|---|
| Cosine metric | 0.8593 |
| Dice metric | 0.8495 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251870
Similarity: 0.7025
Similarity to MM251870
| Tanimoto metric | 0.7025 |
|---|---|
| Cosine metric | 0.8259 |
| Dice metric | 0.8252 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+326 more
