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DocumentationIdentifier: MM397404
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM397404 |
| SMILES |
CC=CC=CC(=O)C1CN1
|
| InChIKey |
IVHNESWYPZXHPX-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM403902
Similarity: 0.7677
Similarity to MM403902
| Tanimoto metric | 0.7677 |
|---|---|
| Cosine metric | 0.8762 |
| Dice metric | 0.8686 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379214
Similarity: 0.6685
Similarity to MM379214
| Tanimoto metric | 0.6685 |
|---|---|
| Cosine metric | 0.8016 |
| Dice metric | 0.8013 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383229
Similarity: 0.6667
Similarity to MM383229
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8004 |
| Dice metric | 0.8 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+32 more
