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DocumentationIdentifier: MM46352
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM46352 |
| SMILES |
C#CCC(O)C(C#C)NC
|
| InChIKey |
AOOVNCJVFFLGSP-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
-0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197047
Similarity: 0.8473
Similarity to MM197047
| Tanimoto metric | 0.8473 |
|---|---|
| Cosine metric | 0.9205 |
| Dice metric | 0.9174 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47399
Similarity: 0.6938
Similarity to MM47399
| Tanimoto metric | 0.6938 |
|---|---|
| Cosine metric | 0.8196 |
| Dice metric | 0.8192 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM407005
Similarity: 0.689
Similarity to MM407005
| Tanimoto metric | 0.689 |
|---|---|
| Cosine metric | 0.8171 |
| Dice metric | 0.8159 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+212 more
