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DocumentationIdentifier: MM388000
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388000 |
| SMILES |
CC=CCC(CN)OC=O
|
| InChIKey |
BFKVKMGKCZOFCS-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM63996
Similarity: 0.8318
Similarity to MM63996
| Tanimoto metric | 0.8318 |
|---|---|
| Cosine metric | 0.912 |
| Dice metric | 0.9082 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156769
Similarity: 0.6729
Similarity to MM156769
| Tanimoto metric | 0.6729 |
|---|---|
| Cosine metric | 0.8203 |
| Dice metric | 0.8045 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72326
Similarity: 0.661
Similarity to MM72326
| Tanimoto metric | 0.661 |
|---|---|
| Cosine metric | 0.7993 |
| Dice metric | 0.7959 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+147 more
