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DocumentationIdentifier: MM46175
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM46175 |
| SMILES |
C#CCNC(=O)CC#C
|
| InChIKey |
LNZQXAFFPUABQQ-UHFFFAOYSA-N
|
| MW [Da] |
121.14
Automatically obtained from RDkit software. |
| LogP |
-0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM279031
Similarity: 0.8427
Similarity to MM279031
| Tanimoto metric | 0.8427 |
|---|---|
| Cosine metric | 0.918 |
| Dice metric | 0.9146 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107436
Similarity: 0.84
Similarity to MM107436
| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9165 |
| Dice metric | 0.913 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36460
Similarity: 0.8267
Similarity to MM36460
| Tanimoto metric | 0.8267 |
|---|---|
| Cosine metric | 0.9092 |
| Dice metric | 0.9051 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+466 more
