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DocumentationIdentifier: MM377615
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377615 |
| SMILES |
CCCC(C=CC=O)NC
|
| InChIKey |
QEMBTCVKFWAGOF-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178148
Similarity: 0.7692
Similarity to MM178148
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388686
Similarity: 0.7167
Similarity to MM388686
| Tanimoto metric | 0.7167 |
|---|---|
| Cosine metric | 0.835 |
| Dice metric | 0.835 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50192
Similarity: 0.6803
Similarity to MM50192
| Tanimoto metric | 0.6803 |
|---|---|
| Cosine metric | 0.8098 |
| Dice metric | 0.8098 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+620 more
