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DocumentationIdentifier: MM84031
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84031 |
| SMILES |
C=CCC(CCN)OC=O
|
| InChIKey |
MQIQBLCZBXXDKQ-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
MM83929
Similarity: 0.73
Similarity to MM83929
| Tanimoto metric | 0.73 |
|---|---|
| Cosine metric | 0.8544 |
| Dice metric | 0.8439 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386287
Similarity: 0.6083
Similarity to MM386287
| Tanimoto metric | 0.6083 |
|---|---|
| Cosine metric | 0.757 |
| Dice metric | 0.7565 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83866
Similarity: 0.59
Similarity to MM83866
| Tanimoto metric | 0.59 |
|---|---|
| Cosine metric | 0.7681 |
| Dice metric | 0.7421 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+387 more
