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DocumentationIdentifier: MM415053
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM415053 |
| SMILES |
C#CC(=NCCCC)NC
|
| InChIKey |
IDXNKIVFOSNGRJ-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200228
Similarity: 0.8585
Similarity to MM200228
| Tanimoto metric | 0.8585 |
|---|---|
| Cosine metric | 0.9265 |
| Dice metric | 0.9239 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377385
Similarity: 0.7
Similarity to MM377385
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8242 |
| Dice metric | 0.8235 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167789
Similarity: 0.6981
Similarity to MM167789
| Tanimoto metric | 0.6981 |
|---|---|
| Cosine metric | 0.8355 |
| Dice metric | 0.8222 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+109 more
