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DocumentationIdentifier: MM87563
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87563 |
| SMILES |
C=CC(=C)CCNCC
|
| InChIKey |
UGZUBUJYVAONGF-UHFFFAOYSA-N
|
| MW [Da] |
125.22
Automatically obtained from RDkit software. |
| LogP |
1.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM365523
Similarity: 0.971
Similarity to MM365523
| Tanimoto metric | 0.971 |
|---|---|
| Cosine metric | 0.9854 |
| Dice metric | 0.9853 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365719
Similarity: 0.8933
Similarity to MM365719
| Tanimoto metric | 0.8933 |
|---|---|
| Cosine metric | 0.9452 |
| Dice metric | 0.9437 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88316
Similarity: 0.8701
Similarity to MM88316
| Tanimoto metric | 0.8701 |
|---|---|
| Cosine metric | 0.9328 |
| Dice metric | 0.9306 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+650 more
