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DocumentationIdentifier: MM296555
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296555 |
| SMILES |
C=CC=C(C)C(=O)CC=C
|
| InChIKey |
AOHPURKDGSBQDQ-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175519
Similarity: 0.8468
Similarity to MM175519
| Tanimoto metric | 0.8468 |
|---|---|
| Cosine metric | 0.9202 |
| Dice metric | 0.9171 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174900
Similarity: 0.8198
Similarity to MM174900
| Tanimoto metric | 0.8198 |
|---|---|
| Cosine metric | 0.9054 |
| Dice metric | 0.901 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296328
Similarity: 0.7597
Similarity to MM296328
| Tanimoto metric | 0.7597 |
|---|---|
| Cosine metric | 0.8636 |
| Dice metric | 0.8634 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+143 more
