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DocumentationIdentifier: MM160072
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160072 |
| SMILES |
C#CC(N)C(O)C(C)N
|
| InChIKey |
XODJSGBOVOKVJO-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
-1.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM36285
Similarity: 0.9429
Similarity to MM36285
| Tanimoto metric | 0.9429 |
|---|---|
| Cosine metric | 0.971 |
| Dice metric | 0.9706 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172305
Similarity: 0.781
Similarity to MM172305
| Tanimoto metric | 0.781 |
|---|---|
| Cosine metric | 0.8785 |
| Dice metric | 0.877 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111622
Similarity: 0.7475
Similarity to MM111622
| Tanimoto metric | 0.7475 |
|---|---|
| Cosine metric | 0.8646 |
| Dice metric | 0.8555 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+466 more
