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DocumentationIdentifier: MM194626
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM194626 |
| SMILES |
NCCC1NC1CCO
|
| InChIKey |
GMFKEQLCXXFULZ-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
-0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM439891
Similarity: 0.7068
Similarity to MM439891
| Tanimoto metric | 0.7068 |
|---|---|
| Cosine metric | 0.8292 |
| Dice metric | 0.8282 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127578
Similarity: 0.7037
Similarity to MM127578
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8389 |
| Dice metric | 0.8261 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194625
Similarity: 0.6909
Similarity to MM194625
| Tanimoto metric | 0.6909 |
|---|---|
| Cosine metric | 0.828 |
| Dice metric | 0.8172 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+197 more
