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DocumentationIdentifier: MM261130
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261130 |
| SMILES |
CCC(O)CC(C)CCN
|
| InChIKey |
YBSHWZKWTJWCJN-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM361718
Similarity: 0.7423
Similarity to MM361718
| Tanimoto metric | 0.7423 |
|---|---|
| Cosine metric | 0.8521 |
| Dice metric | 0.8521 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221077
Similarity: 0.72
Similarity to MM221077
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8374 |
| Dice metric | 0.8372 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239192
Similarity: 0.701
Similarity to MM239192
| Tanimoto metric | 0.701 |
|---|---|
| Cosine metric | 0.8244 |
| Dice metric | 0.8242 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+479 more
