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DocumentationIdentifier: MM241792
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM241792 |
| SMILES |
CCC(C)(O)C(N)CCO
|
| InChIKey |
QRIPMWIIBHDXNM-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
MM233078
Similarity: 0.6781
Similarity to MM233078
| Tanimoto metric | 0.6781 |
|---|---|
| Cosine metric | 0.8087 |
| Dice metric | 0.8082 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225443
Similarity: 0.6644
Similarity to MM225443
| Tanimoto metric | 0.6644 |
|---|---|
| Cosine metric | 0.7986 |
| Dice metric | 0.7984 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221485
Similarity: 0.6554
Similarity to MM221485
| Tanimoto metric | 0.6554 |
|---|---|
| Cosine metric | 0.7924 |
| Dice metric | 0.7918 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+395 more
