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DocumentationIdentifier: MM229053
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229053 |
| SMILES |
CCC(O)(C#N)CC(C)O
|
| InChIKey |
COTCCQNVAKNPOV-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM243118
Similarity: 0.8333
Similarity to MM243118
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9098 |
| Dice metric | 0.9091 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57845
Similarity: 0.7923
Similarity to MM57845
| Tanimoto metric | 0.7923 |
|---|---|
| Cosine metric | 0.8845 |
| Dice metric | 0.8841 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57802
Similarity: 0.7615
Similarity to MM57802
| Tanimoto metric | 0.7615 |
|---|---|
| Cosine metric | 0.8656 |
| Dice metric | 0.8646 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+241 more
