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DocumentationIdentifier: MM303414
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM303414 |
| SMILES |
C=CCC(CNC)CNC
|
| InChIKey |
QLAXYODZCGIAFB-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM95535
Similarity: 0.9412
Similarity to MM95535
| Tanimoto metric | 0.9412 |
|---|---|
| Cosine metric | 0.9701 |
| Dice metric | 0.9697 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386240
Similarity: 0.7711
Similarity to MM386240
| Tanimoto metric | 0.7711 |
|---|---|
| Cosine metric | 0.8732 |
| Dice metric | 0.8707 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM95716
Similarity: 0.7442
Similarity to MM95716
| Tanimoto metric | 0.7442 |
|---|---|
| Cosine metric | 0.8571 |
| Dice metric | 0.8533 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+582 more
