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DocumentationIdentifier: MM72495
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM72495 |
| SMILES |
C=C(C=C(C)CO)CNC
|
| InChIKey |
DXLVZHCDGYACFN-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM72465
Similarity: 0.7596
Similarity to MM72465
| Tanimoto metric | 0.7596 |
|---|---|
| Cosine metric | 0.8716 |
| Dice metric | 0.8634 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM338340
Similarity: 0.7368
Similarity to MM338340
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8485 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357598
Similarity: 0.6957
Similarity to MM357598
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.8223 |
| Dice metric | 0.8205 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+580 more
