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DocumentationIdentifier: MM37429
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM37429 |
| SMILES |
CCNC(=O)CC#CCN
|
| InChIKey |
VCPANOKFFGNLRB-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157072
Similarity: 0.8681
Similarity to MM157072
| Tanimoto metric | 0.8681 |
|---|---|
| Cosine metric | 0.9317 |
| Dice metric | 0.9294 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281116
Similarity: 0.802
Similarity to MM281116
| Tanimoto metric | 0.802 |
|---|---|
| Cosine metric | 0.8901 |
| Dice metric | 0.8901 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281087
Similarity: 0.79
Similarity to MM281087
| Tanimoto metric | 0.79 |
|---|---|
| Cosine metric | 0.8828 |
| Dice metric | 0.8827 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+305 more
