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DocumentationIdentifier: MM304234
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304234 |
| SMILES |
O=CC=C(CCO)OC=O
|
| InChIKey |
ITDDXMRXLGZASU-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM75378
Similarity: 0.6458
Similarity to MM75378
| Tanimoto metric | 0.6458 |
|---|---|
| Cosine metric | 0.7852 |
| Dice metric | 0.7848 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304235
Similarity: 0.6224
Similarity to MM304235
| Tanimoto metric | 0.6224 |
|---|---|
| Cosine metric | 0.7673 |
| Dice metric | 0.7672 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75301
Similarity: 0.6111
Similarity to MM75301
| Tanimoto metric | 0.6111 |
|---|---|
| Cosine metric | 0.7586 |
| Dice metric | 0.7586 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+119 more
