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DocumentationIdentifier: MM195348
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM195348 |
| SMILES |
CNCCCC1NC1C
|
| InChIKey |
FSPBQLDYKWRZIS-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM124708
Similarity: 0.8837
Similarity to MM124708
| Tanimoto metric | 0.8837 |
|---|---|
| Cosine metric | 0.9401 |
| Dice metric | 0.9383 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM216534
Similarity: 0.7917
Similarity to MM216534
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8837 |
| Dice metric | 0.8837 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM459331
Similarity: 0.7386
Similarity to MM459331
| Tanimoto metric | 0.7386 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8497 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+221 more
