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DocumentationIdentifier: MM300977
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM300977 |
| SMILES |
CC(O)C(N)CNCCO
|
| InChIKey |
PFQREDOZOCPMGN-UHFFFAOYSA-N
|
| MW [Da] |
148.21
Automatically obtained from RDkit software. |
| LogP |
-1.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM161970
Similarity: 0.88
Similarity to MM161970
| Tanimoto metric | 0.88 |
|---|---|
| Cosine metric | 0.9381 |
| Dice metric | 0.9362 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301319
Similarity: 0.7333
Similarity to MM301319
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8468 |
| Dice metric | 0.8462 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300979
Similarity: 0.7333
Similarity to MM300979
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8468 |
| Dice metric | 0.8462 |
| MW: | 150.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+311 more
