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DocumentationIdentifier: MM349752
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349752 |
| SMILES |
C=CC(=C)C(C)N(C)C=O
|
| InChIKey |
XMGVYFTVPZGVDP-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM160272
Similarity: 0.7554
Similarity to MM160272
| Tanimoto metric | 0.7554 |
|---|---|
| Cosine metric | 0.8691 |
| Dice metric | 0.8607 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM299542
Similarity: 0.7122
Similarity to MM299542
| Tanimoto metric | 0.7122 |
|---|---|
| Cosine metric | 0.8439 |
| Dice metric | 0.8319 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM376864
Similarity: 0.6776
Similarity to MM376864
| Tanimoto metric | 0.6776 |
|---|---|
| Cosine metric | 0.8111 |
| Dice metric | 0.8078 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+71 more
