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DocumentationIdentifier: MM97395
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97395 |
| SMILES |
CC(=O)OCCN
|
| InChIKey |
HBVZRPAKZOLBPL-UHFFFAOYSA-N
|
| MW [Da] |
103.12
Automatically obtained from RDkit software. |
| LogP |
-0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113113
Similarity: 0.7778
Similarity to MM113113
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64783
Similarity: 0.75
Similarity to MM64783
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113114
Similarity: 0.7
Similarity to MM113114
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 119.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+374 more
