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DocumentationIdentifier: MM250475
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250475 |
| SMILES |
CC(O)CCC(O)CCN
|
| InChIKey |
XJEXQKMNIKFSNI-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155632
Similarity: 0.8169
Similarity to MM155632
| Tanimoto metric | 0.8169 |
|---|---|
| Cosine metric | 0.9038 |
| Dice metric | 0.8992 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362739
Similarity: 0.7671
Similarity to MM362739
| Tanimoto metric | 0.7671 |
|---|---|
| Cosine metric | 0.8727 |
| Dice metric | 0.8682 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362743
Similarity: 0.7013
Similarity to MM362743
| Tanimoto metric | 0.7013 |
|---|---|
| Cosine metric | 0.8273 |
| Dice metric | 0.8244 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+525 more
