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DocumentationIdentifier: MM370758
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370758 |
| SMILES |
NCC#CCNC(=O)CN
|
| InChIKey |
MEJLEZMICKBOGH-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-1.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM278996
Similarity: 0.7872
Similarity to MM278996
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.882 |
| Dice metric | 0.881 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288302
Similarity: 0.7561
Similarity to MM288302
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8665 |
| Dice metric | 0.8611 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33491
Similarity: 0.675
Similarity to MM33491
| Tanimoto metric | 0.675 |
|---|---|
| Cosine metric | 0.8216 |
| Dice metric | 0.806 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+262 more
