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DocumentationIdentifier: MM296224
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296224 |
| SMILES |
C#CCC(O)C(C)=CC#N
|
| InChIKey |
DFILPMJICUDPOW-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM364548
Similarity: 0.7823
Similarity to MM364548
| Tanimoto metric | 0.7823 |
|---|---|
| Cosine metric | 0.8845 |
| Dice metric | 0.8778 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175170
Similarity: 0.7742
Similarity to MM175170
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72314
Similarity: 0.669
Similarity to MM72314
| Tanimoto metric | 0.669 |
|---|---|
| Cosine metric | 0.8019 |
| Dice metric | 0.8017 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+291 more
