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DocumentationIdentifier: MM210693
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM210693 |
| SMILES |
CCC1NC1C(C)C#N
|
| InChIKey |
SCBJSMSZWLYPKD-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM435132
Similarity: 0.9716
Similarity to MM435132
| Tanimoto metric | 0.9716 |
|---|---|
| Cosine metric | 0.9857 |
| Dice metric | 0.9856 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM434718
Similarity: 0.8782
Similarity to MM434718
| Tanimoto metric | 0.8782 |
|---|---|
| Cosine metric | 0.9371 |
| Dice metric | 0.9352 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM124392
Similarity: 0.8394
Similarity to MM124392
| Tanimoto metric | 0.8394 |
|---|---|
| Cosine metric | 0.9162 |
| Dice metric | 0.9127 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+151 more
