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DocumentationIdentifier: MM355863
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355863 |
| SMILES |
CCC(=O)N(C)C=CCF
|
| InChIKey |
NVCZNSMRAQZCRX-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.34
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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MM174179
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| Tanimoto metric | 0.8099 |
|---|---|
| Cosine metric | 0.9 |
| Dice metric | 0.895 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163234
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| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8672 |
| Dice metric | 0.8585 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.95 |
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|---|---|---|---|---|---|
| AI: | 0
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MM294672
Similarity: 0.7376
Similarity to MM294672
| Tanimoto metric | 0.7376 |
|---|---|
| Cosine metric | 0.849 |
| Dice metric | 0.849 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+570 more
