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DocumentationIdentifier: MM268412
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM268412 |
| SMILES |
C#CC(N)C(O)CC(C)N
|
| InChIKey |
YXACSKYFQCPWNF-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
-0.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM244863
Similarity: 0.8485
Similarity to MM244863
| Tanimoto metric | 0.8485 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.918 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348773
Similarity: 0.7769
Similarity to MM348773
| Tanimoto metric | 0.7769 |
|---|---|
| Cosine metric | 0.8768 |
| Dice metric | 0.8745 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172245
Similarity: 0.7661
Similarity to MM172245
| Tanimoto metric | 0.7661 |
|---|---|
| Cosine metric | 0.8753 |
| Dice metric | 0.8676 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+314 more
