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DocumentationIdentifier: MM244640
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244640 |
| SMILES |
CCC(O)CC(O)C(C)N
|
| InChIKey |
NNJOMBOFVIFWCZ-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
MM133489
Similarity: 0.8969
Similarity to MM133489
| Tanimoto metric | 0.8969 |
|---|---|
| Cosine metric | 0.9471 |
| Dice metric | 0.9457 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244641
Similarity: 0.8922
Similarity to MM244641
| Tanimoto metric | 0.8922 |
|---|---|
| Cosine metric | 0.943 |
| Dice metric | 0.943 |
| MW: | 148.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM161939
Similarity: 0.7732
Similarity to MM161939
| Tanimoto metric | 0.7732 |
|---|---|
| Cosine metric | 0.8793 |
| Dice metric | 0.8721 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+316 more
