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DocumentationIdentifier: MM275006
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM275006 |
| SMILES |
C#CC(NC(C)C)C(C)O
|
| InChIKey |
NJGHXGMTQVPPFZ-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM116967
Similarity: 0.6833
Similarity to MM116967
| Tanimoto metric | 0.6833 |
|---|---|
| Cosine metric | 0.8266 |
| Dice metric | 0.8119 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46604
Similarity: 0.6522
Similarity to MM46604
| Tanimoto metric | 0.6522 |
|---|---|
| Cosine metric | 0.7933 |
| Dice metric | 0.7895 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125071
Similarity: 0.6481
Similarity to MM125071
| Tanimoto metric | 0.6481 |
|---|---|
| Cosine metric | 0.7906 |
| Dice metric | 0.7865 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+423 more
