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DocumentationIdentifier: MM353314
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM353314 |
| SMILES |
C=C(CC=CF)C(C)CN
|
| InChIKey |
IEUYVQJUPYZOFJ-UHFFFAOYSA-N
|
| MW [Da] |
143.21
Automatically obtained from RDkit software. |
| LogP |
2.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173049
Similarity: 0.7755
Similarity to MM173049
| Tanimoto metric | 0.7755 |
|---|---|
| Cosine metric | 0.8806 |
| Dice metric | 0.8736 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM380914
Similarity: 0.6992
Similarity to MM380914
| Tanimoto metric | 0.6992 |
|---|---|
| Cosine metric | 0.8246 |
| Dice metric | 0.823 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM84434
Similarity: 0.6909
Similarity to MM84434
| Tanimoto metric | 0.6909 |
|---|---|
| Cosine metric | 0.8184 |
| Dice metric | 0.8172 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+529 more
