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DocumentationIdentifier: MM275998
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM275998 |
| SMILES |
C#CC(=NC(C)C)N(C)C
|
| InChIKey |
XGPYWNILZKQJCS-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
MM180661
Similarity: 0.8142
Similarity to MM180661
| Tanimoto metric | 0.8142 |
|---|---|
| Cosine metric | 0.9023 |
| Dice metric | 0.8976 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70696
Similarity: 0.697
Similarity to MM70696
| Tanimoto metric | 0.697 |
|---|---|
| Cosine metric | 0.8215 |
| Dice metric | 0.8214 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM134231
Similarity: 0.6814
Similarity to MM134231
| Tanimoto metric | 0.6814 |
|---|---|
| Cosine metric | 0.8255 |
| Dice metric | 0.8105 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+163 more
