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DocumentationIdentifier: MM402370
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM402370 |
| SMILES |
CCC(CN)CCOC=O
|
| InChIKey |
XMHWPDTXUMARIZ-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM95639
Similarity: 0.8144
Similarity to MM95639
| Tanimoto metric | 0.8144 |
|---|---|
| Cosine metric | 0.8992 |
| Dice metric | 0.8977 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165722
Similarity: 0.7952
Similarity to MM165722
| Tanimoto metric | 0.7952 |
|---|---|
| Cosine metric | 0.8917 |
| Dice metric | 0.8859 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402380
Similarity: 0.7253
Similarity to MM402380
| Tanimoto metric | 0.7253 |
|---|---|
| Cosine metric | 0.8421 |
| Dice metric | 0.8408 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+257 more
