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DocumentationIdentifier: MM455912
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM455912 |
| SMILES |
CCNCC=CCCNC
|
| InChIKey |
NAGBHGZXQZVSNZ-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
0.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM214708
Similarity: 0.9216
Similarity to MM214708
| Tanimoto metric | 0.9216 |
|---|---|
| Cosine metric | 0.96 |
| Dice metric | 0.9592 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM451105
Similarity: 0.8727
Similarity to MM451105
| Tanimoto metric | 0.8727 |
|---|---|
| Cosine metric | 0.9321 |
| Dice metric | 0.932 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87514
Similarity: 0.8627
Similarity to MM87514
| Tanimoto metric | 0.8627 |
|---|---|
| Cosine metric | 0.9288 |
| Dice metric | 0.9263 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+790 more
