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DocumentationIdentifier: MM232336
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM232336 |
| SMILES |
CC(C)(O)CCCNC=O
|
| InChIKey |
VMCWNYVOCADOCB-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM131453
Similarity: 0.8072
Similarity to MM131453
| Tanimoto metric | 0.8072 |
|---|---|
| Cosine metric | 0.8985 |
| Dice metric | 0.8933 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232283
Similarity: 0.7204
Similarity to MM232283
| Tanimoto metric | 0.7204 |
|---|---|
| Cosine metric | 0.8381 |
| Dice metric | 0.8375 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73045
Similarity: 0.633
Similarity to MM73045
| Tanimoto metric | 0.633 |
|---|---|
| Cosine metric | 0.777 |
| Dice metric | 0.7753 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+512 more
