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DocumentationIdentifier: MM367996
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM367996 |
| SMILES |
C=CC=COCC(C)NC
|
| InChIKey |
UDTAJWNIDLQGBM-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167204
Similarity: 0.8675
Similarity to MM167204
| Tanimoto metric | 0.8675 |
|---|---|
| Cosine metric | 0.9314 |
| Dice metric | 0.929 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73931
Similarity: 0.7579
Similarity to MM73931
| Tanimoto metric | 0.7579 |
|---|---|
| Cosine metric | 0.8623 |
| Dice metric | 0.8623 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368114
Similarity: 0.7273
Similarity to MM368114
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8425 |
| Dice metric | 0.8421 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+576 more
