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DocumentationIdentifier: MM198977
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198977 |
| SMILES |
C=CCNC(C#N)CC
|
| InChIKey |
ZMOPOAASRZXVNH-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM404991
Similarity: 0.8556
Similarity to MM404991
| Tanimoto metric | 0.8556 |
|---|---|
| Cosine metric | 0.925 |
| Dice metric | 0.9222 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8105 |
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| Cosine metric | 0.9003 |
| Dice metric | 0.8953 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.36 |
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| AI: | 0
Total active interactions
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MM327078
Similarity: 0.8021
Similarity to MM327078
| Tanimoto metric | 0.8021 |
|---|---|
| Cosine metric | 0.8956 |
| Dice metric | 0.8902 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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