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DocumentationIdentifier: MM154412
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM154412 |
| SMILES |
C=C(C)C=CC=COC
|
| InChIKey |
PPFVUKRFYLWBGR-UHFFFAOYSA-N
|
| MW [Da] |
124.18
Automatically obtained from RDkit software. |
| LogP |
2.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126495
Similarity: 0.7414
Similarity to MM126495
| Tanimoto metric | 0.7414 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.8515 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215539
Similarity: 0.6719
Similarity to MM215539
| Tanimoto metric | 0.6719 |
|---|---|
| Cosine metric | 0.8066 |
| Dice metric | 0.8037 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295568
Similarity: 0.6591
Similarity to MM295568
| Tanimoto metric | 0.6591 |
|---|---|
| Cosine metric | 0.8118 |
| Dice metric | 0.7945 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+427 more
