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DocumentationIdentifier: MM459780
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM459780 |
| SMILES |
NCC1(CCC2CN2)CN1
|
| InChIKey |
HTYMTYXCSDZVOX-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
-0.96
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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MM343630
Similarity: 0.943
Similarity to MM343630
| Tanimoto metric | 0.943 |
|---|---|
| Cosine metric | 0.9711 |
| Dice metric | 0.9707 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9106 |
| Dice metric | 0.9066 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.71 |
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| AI: | 0
Total active interactions
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MM425603
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| Tanimoto metric | 0.8228 |
|---|---|
| Cosine metric | 0.9071 |
| Dice metric | 0.9028 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+97 more
