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DocumentationIdentifier: MM431300
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM431300 |
| SMILES |
CCCC1NC1(C#N)CC
|
| InChIKey |
CVDLUSBJTTYTNM-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM431917
Similarity: 0.7922
Similarity to MM431917
| Tanimoto metric | 0.7922 |
|---|---|
| Cosine metric | 0.8841 |
| Dice metric | 0.8841 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM177106
Similarity: 0.7816
Similarity to MM177106
| Tanimoto metric | 0.7816 |
|---|---|
| Cosine metric | 0.8841 |
| Dice metric | 0.8774 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM336168
Similarity: 0.7563
Similarity to MM336168
| Tanimoto metric | 0.7563 |
|---|---|
| Cosine metric | 0.8613 |
| Dice metric | 0.8612 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+215 more
