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DocumentationIdentifier: MM36285
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM36285 |
| SMILES |
C#CC(N)C(O)C(N)C#C
|
| InChIKey |
RCCOZNAEVCADCP-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-1.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160072
Similarity: 0.9429
Similarity to MM160072
| Tanimoto metric | 0.9429 |
|---|---|
| Cosine metric | 0.971 |
| Dice metric | 0.9706 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172305
Similarity: 0.8381
Similarity to MM172305
| Tanimoto metric | 0.8381 |
|---|---|
| Cosine metric | 0.9155 |
| Dice metric | 0.9119 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348476
Similarity: 0.7071
Similarity to MM348476
| Tanimoto metric | 0.7071 |
|---|---|
| Cosine metric | 0.8346 |
| Dice metric | 0.8285 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+323 more
