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DocumentationIdentifier: MM439891
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM439891 |
| SMILES |
NCCC1NC1CCCO
|
| InChIKey |
AQMUZJLMYYCCCR-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM194624
Similarity: 0.7731
Similarity to MM194624
| Tanimoto metric | 0.7731 |
|---|---|
| Cosine metric | 0.8793 |
| Dice metric | 0.872 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194626
Similarity: 0.7068
Similarity to MM194626
| Tanimoto metric | 0.7068 |
|---|---|
| Cosine metric | 0.8292 |
| Dice metric | 0.8282 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM184515
Similarity: 0.6986
Similarity to MM184515
| Tanimoto metric | 0.6986 |
|---|---|
| Cosine metric | 0.8233 |
| Dice metric | 0.8226 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+190 more
