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DocumentationIdentifier: MM88316
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM88316 |
| SMILES |
C=CC(=C)CCNC(C)C
|
| InChIKey |
FFRHHNIVQNTFAK-UHFFFAOYSA-N
|
| MW [Da] |
139.24
Automatically obtained from RDkit software. |
| LogP |
2.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM87563
Similarity: 0.8701
Similarity to MM87563
| Tanimoto metric | 0.8701 |
|---|---|
| Cosine metric | 0.9328 |
| Dice metric | 0.9306 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365523
Similarity: 0.8481
Similarity to MM365523
| Tanimoto metric | 0.8481 |
|---|---|
| Cosine metric | 0.9192 |
| Dice metric | 0.9178 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365719
Similarity: 0.7882
Similarity to MM365719
| Tanimoto metric | 0.7882 |
|---|---|
| Cosine metric | 0.8817 |
| Dice metric | 0.8816 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+600 more
