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DocumentationIdentifier: MM268438
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM268438 |
| SMILES |
CCC(O)C(C)CC(C)=O
|
| InChIKey |
DGTJSBUONOFGBS-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM244891
Similarity: 0.7459
Similarity to MM244891
| Tanimoto metric | 0.7459 |
|---|---|
| Cosine metric | 0.8545 |
| Dice metric | 0.8545 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268553
Similarity: 0.7402
Similarity to MM268553
| Tanimoto metric | 0.7402 |
|---|---|
| Cosine metric | 0.8511 |
| Dice metric | 0.8507 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254560
Similarity: 0.6991
Similarity to MM254560
| Tanimoto metric | 0.6991 |
|---|---|
| Cosine metric | 0.8284 |
| Dice metric | 0.8229 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+214 more
