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DocumentationIdentifier: MM152490
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM152490 |
| SMILES |
CC(N)CCOCCN
|
| InChIKey |
VGHOEYLSVYHTPH-UHFFFAOYSA-N
|
| MW [Da] |
132.21
Automatically obtained from RDkit software. |
| LogP |
-0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM152489
Similarity: 0.8361
Similarity to MM152489
| Tanimoto metric | 0.8361 |
|---|---|
| Cosine metric | 0.912 |
| Dice metric | 0.9107 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM105483
Similarity: 0.8305
Similarity to MM105483
| Tanimoto metric | 0.8305 |
|---|---|
| Cosine metric | 0.9113 |
| Dice metric | 0.9074 |
| MW: | 117.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362899
Similarity: 0.8194
Similarity to MM362899
| Tanimoto metric | 0.8194 |
|---|---|
| Cosine metric | 0.9052 |
| Dice metric | 0.9008 |
| MW: | 148.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+642 more
