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DocumentationIdentifier: MM354665
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM354665 |
| SMILES |
C=C(CCNC)C(C)=CC
|
| InChIKey |
OYUMEGFHEIYASP-UHFFFAOYSA-N
|
| MW [Da] |
139.24
Automatically obtained from RDkit software. |
| LogP |
2.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174846
Similarity: 0.7925
Similarity to MM174846
| Tanimoto metric | 0.7925 |
|---|---|
| Cosine metric | 0.8902 |
| Dice metric | 0.8842 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM96190
Similarity: 0.7358
Similarity to MM96190
| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8578 |
| Dice metric | 0.8478 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296243
Similarity: 0.672
Similarity to MM296243
| Tanimoto metric | 0.672 |
|---|---|
| Cosine metric | 0.8039 |
| Dice metric | 0.8038 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+290 more
