Molecular Properties | |
SMILES: | CS(=O)(=O)N1CC[C@H](C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc21 |
MW: | 415.08 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 79.37 |
cLogP: | 3.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
RAL-THA-4aa06b95-1
DAR-DIA-0f2f46c9-5
1.000
DAR-DIA-0f2f46c9-6
1.000
DAR-DIA-0f2f46c9-10
0.838
DAR-DIA-0f2f46c9-3
0.817
DAR-DIA-0f2f46c9-1
0.817
DAR-DIA-0f2f46c9-2
0.817
DAR-DIA-0f2f46c9-9
0.810
DAR-DIA-0f2f46c9-7
0.810
DAR-DIA-0f2f46c9-8
0.810
DAR-DIA-0f2f46c9-13
0.800
DAR-DIA-0f2f46c9-14
0.800
ALP-POS-d054b76b-1
0.771
EDG-MED-5d232de5-5
0.718
RAL-THA-8416115c-2
0.718
MIC-UNK-91acba05-6
0.718
EDG-MED-5d232de5-6
0.718
DAR-DIA-0f2f46c9-12
0.718
RAL-THA-c11c1343-1
0.701
EDG-MED-5d232de5-3
0.701
EDG-MED-5d232de5-4
0.701
ALP-POS-966f8da6-2
0.701
RAL-THA-8416115c-3
0.693
RAL-THA-4aa06b95-4
0.689
RAL-THA-4aa06b95-1
0.682
RAL-THA-8416115c-4
0.678
RAL-THA-4aa06b95-3
0.678
RAL-THA-4aa06b95-6
0.674
DAR-DIA-0f2f46c9-11
0.667
RAL-THA-8416115c-7
0.659
RAL-THA-4aa06b95-2
0.659
RAL-THA-8416115c-10
0.656
RAL-THA-8416115c-8
0.652
RAL-THA-4aa06b95-7
0.649
RAL-THA-8416115c-9
0.649
MAR-UCB-6ab2ec87-7
0.648
RAL-THA-4aa06b95-5
0.642
EDJ-MED-0047eae5-1
0.641
MAR-UCB-6ab2ec87-6
0.636
RAL-THA-8416115c-1
0.632
ALP-POS-d054b76b-3
0.625
MIC-UNK-45817b9b-2
0.615
RAL-THA-8416115c-6
0.606
ALP-UNI-b33a865d-1
0.606
RAL-THA-8416115c-11
0.606
ALP-POS-966f8da6-1
0.606
RAL-THA-8416115c-14
0.600
RAL-THA-8416115c-5
0.594
EDJ-MED-92e193ae-2
0.593
MIC-UNK-91acba05-5
0.593
EDJ-MED-92e193ae-1
0.593
ALP-POS-477dc5b7-2
0.593
MAT-POS-2e8b2191-1
0.589
RAL-THA-8416115c-13
0.588
RAL-THA-8416115c-12
0.588
MAT-POS-24589f88-2
0.585
MAT-POS-24589f88-3
0.585
MAT-POS-dd3ad2b5-4
0.585
MAT-POS-78e1d523-1
0.582
MAT-POS-acfe5bae-3
0.571
EDJ-MED-0047eae5-2
0.566
MAT-POS-b3e365b9-2
0.565
ALP-POS-477dc5b7-1
0.565
MAT-POS-66a736cf-1
0.565
MAT-POS-f7918075-1
0.565
VLA-UCB-1dbca3b4-15
0.565
MIC-UNK-91acba05-4
0.565
LUO-POS-868e8996-13
0.565
LUO-POS-868e8996-14
0.565
MAT-POS-b3e365b9-1
0.565
MIC-UNK-91acba05-3
0.565
RAL-THA-ee48ba5f-5
0.561
EDJ-MED-eb111c00-4
0.556
EDJ-MED-eb111c00-1
0.553
MIC-UNK-91acba05-2
0.553
EDJ-MED-b774e9fe-2
0.552
EDJ-MED-2791eece-6
0.552
ALP-UNI-ba800595-1
0.548
ALF-EVA-5b152d2f-1
0.547
MAR-UCB-6ab2ec87-1
0.543
ALP-POS-a577c8a2-2
0.542
ALP-POS-d054b76b-2
0.542
EDJ-MED-12c115cc-1
0.538
EDJ-MED-12c115cc-2
0.538
MAT-POS-bbbbc21a-2
0.538
MAT-POS-f7918075-2
0.538
ALP-POS-c56c1477-3
0.538
MAT-POS-2e8b2191-6
0.538
ROB-UNI-611831f5-2
0.537
ALP-POS-fe871b40-6
0.537
MAT-POS-4223bc15-19
0.536
ALP-POS-fe871b40-2
0.536
MAT-POS-dd3ad2b5-2
0.536
RAL-THA-6e4c80cf-1
0.536
PET-UNK-9b23ef84-2
0.536
MAT-POS-4223bc15-3
0.535
MAT-POS-4223bc15-1
0.535
MAT-POS-4223bc15-6
0.535
MAT-POS-dd3ad2b5-5
0.535
ALP-POS-b3e0acc5-1
0.534
RAL-THA-05e671eb-3
0.532