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DocumentationIdentifier: MM375334
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM375334 |
| SMILES |
CC=C(C)CC=CNC=O
|
| InChIKey |
PWMHGOFGRBLDFI-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM153713
Similarity: 0.8025
Similarity to MM153713
| Tanimoto metric | 0.8025 |
|---|---|
| Cosine metric | 0.8958 |
| Dice metric | 0.8904 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215334
Similarity: 0.679
Similarity to MM215334
| Tanimoto metric | 0.679 |
|---|---|
| Cosine metric | 0.824 |
| Dice metric | 0.8088 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM374114
Similarity: 0.6771
Similarity to MM374114
| Tanimoto metric | 0.6771 |
|---|---|
| Cosine metric | 0.8075 |
| Dice metric | 0.8075 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+395 more
