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DocumentationIdentifier: MM407005
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM407005 |
| SMILES |
C#CC(NC)C(O)CC=C
|
| InChIKey |
LNYNSBUJYCSPRX-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.14
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: 0.7603
Similarity to MM197047
| Tanimoto metric | 0.7603 |
|---|---|
| Cosine metric | 0.8719 |
| Dice metric | 0.8638 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172283
Similarity: 0.7055
Similarity to MM172283
| Tanimoto metric | 0.7055 |
|---|---|
| Cosine metric | 0.8399 |
| Dice metric | 0.8273 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46352
Similarity: 0.689
Similarity to MM46352
| Tanimoto metric | 0.689 |
|---|---|
| Cosine metric | 0.8171 |
| Dice metric | 0.8159 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+265 more
