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DocumentationIdentifier: MM374580
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM374580 |
| SMILES |
C=CC(C)OC=CC=CC
|
| InChIKey |
GSQFDUVEVQELIK-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168353
Similarity: 0.8592
Similarity to MM168353
| Tanimoto metric | 0.8592 |
|---|---|
| Cosine metric | 0.9269 |
| Dice metric | 0.9242 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280639
Similarity: 0.8125
Similarity to MM280639
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.8967 |
| Dice metric | 0.8966 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM407204
Similarity: 0.7722
Similarity to MM407204
| Tanimoto metric | 0.7722 |
|---|---|
| Cosine metric | 0.8715 |
| Dice metric | 0.8714 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+593 more
