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DocumentationIdentifier: MM284961
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM284961 |
| SMILES |
CC=COC=C(C)NC=N
|
| InChIKey |
YVMGUIFIGDCEFP-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
1.59
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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| Tanimoto metric | 0.9111 |
|---|---|
| Cosine metric | 0.9545 |
| Dice metric | 0.9535 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM83639
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| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8692 |
| Dice metric | 0.8608 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM360410
Similarity: 0.6777
Similarity to MM360410
| Tanimoto metric | 0.6777 |
|---|---|
| Cosine metric | 0.8131 |
| Dice metric | 0.8079 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+211 more
