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DocumentationIdentifier: MM309484
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM309484 |
| SMILES |
C=CCNC(C)(C=C)C=C
|
| InChIKey |
HCOTUCZNHPWCKH-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
1.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138450
Similarity: 0.8169
Similarity to MM138450
| Tanimoto metric | 0.8169 |
|---|---|
| Cosine metric | 0.9038 |
| Dice metric | 0.8992 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309317
Similarity: 0.7619
Similarity to MM309317
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8656 |
| Dice metric | 0.8649 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226466
Similarity: 0.7532
Similarity to MM226466
| Tanimoto metric | 0.7532 |
|---|---|
| Cosine metric | 0.8604 |
| Dice metric | 0.8593 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+450 more
