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DocumentationIdentifier: MM423739
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM423739 |
| SMILES |
C#CCN=CN(CC)CC
|
| InChIKey |
VTFUAYAEMLENFT-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200550
Similarity: 0.7826
Similarity to MM200550
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365318
Similarity: 0.7722
Similarity to MM365318
| Tanimoto metric | 0.7722 |
|---|---|
| Cosine metric | 0.8715 |
| Dice metric | 0.8714 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281519
Similarity: 0.7093
Similarity to MM281519
| Tanimoto metric | 0.7093 |
|---|---|
| Cosine metric | 0.8315 |
| Dice metric | 0.8299 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+338 more
