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DocumentationIdentifier: MM67380
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67380 |
| SMILES |
CCC(N)C(C)(O)CO
|
| InChIKey |
OLBLXNYMIOLGEU-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
-0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM241795
Similarity: 0.8462
Similarity to MM241795
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 149.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM241794
Similarity: 0.7746
Similarity to MM241794
| Tanimoto metric | 0.7746 |
|---|---|
| Cosine metric | 0.8801 |
| Dice metric | 0.873 |
| MW: | 148.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77014
Similarity: 0.7483
Similarity to MM77014
| Tanimoto metric | 0.7483 |
|---|---|
| Cosine metric | 0.865 |
| Dice metric | 0.856 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+378 more
