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DocumentationIdentifier: MM43152
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM43152 |
| SMILES |
C#CC(=C)NC=NCCO
|
| InChIKey |
YFHXMQUTJICQKJ-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168885
Similarity: 0.8261
Similarity to MM168885
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM374316
Similarity: 0.7379
Similarity to MM374316
| Tanimoto metric | 0.7379 |
|---|---|
| Cosine metric | 0.8495 |
| Dice metric | 0.8492 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM374318
Similarity: 0.7037
Similarity to MM374318
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8261 |
| Dice metric | 0.8261 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+331 more
