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DocumentationIdentifier: MM388082
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388082 |
| SMILES |
C#CCC(CN)NC=NC
|
| InChIKey |
XHRGCBVSDYACID-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156806
Similarity: 0.7115
Similarity to MM156806
| Tanimoto metric | 0.7115 |
|---|---|
| Cosine metric | 0.8435 |
| Dice metric | 0.8315 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405722
Similarity: 0.6552
Similarity to MM405722
| Tanimoto metric | 0.6552 |
|---|---|
| Cosine metric | 0.7944 |
| Dice metric | 0.7917 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280009
Similarity: 0.6491
Similarity to MM280009
| Tanimoto metric | 0.6491 |
|---|---|
| Cosine metric | 0.7917 |
| Dice metric | 0.7872 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+249 more
