Molecular Properties | |
SMILES: | NS(=O)(=O)N1CC[C@@H](C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc21 |
MW: | 416.07 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 105.39 |
cLogP: | 3.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
RAL-THA-4aa06b95-1
DAR-DIA-0f2f46c9-3
1.000
DAR-DIA-0f2f46c9-1
1.000
DAR-DIA-0f2f46c9-10
0.827
DAR-DIA-0f2f46c9-5
0.817
DAR-DIA-0f2f46c9-6
0.817
DAR-DIA-0f2f46c9-4
0.817
DAR-DIA-0f2f46c9-9
0.779
DAR-DIA-0f2f46c9-7
0.779
DAR-DIA-0f2f46c9-8
0.779
DAR-DIA-0f2f46c9-13
0.770
DAR-DIA-0f2f46c9-14
0.770
MIC-UNK-91acba05-6
0.709
RAL-THA-8416115c-2
0.709
EDG-MED-5d232de5-5
0.709
EDG-MED-5d232de5-6
0.709
RAL-THA-4aa06b95-1
0.693
DAR-DIA-0f2f46c9-12
0.690
ALP-POS-d054b76b-1
0.682
DAR-DIA-0f2f46c9-11
0.678
EDG-MED-5d232de5-3
0.674
ALP-POS-966f8da6-2
0.674
RAL-THA-c11c1343-1
0.674
EDG-MED-5d232de5-4
0.674
RAL-THA-4aa06b95-6
0.667
RAL-THA-8416115c-3
0.667
RAL-THA-8416115c-8
0.663
RAL-THA-4aa06b95-2
0.652
RAL-THA-4aa06b95-3
0.652
RAL-THA-8416115c-4
0.652
RAL-THA-8416115c-7
0.652
RAL-THA-4aa06b95-4
0.645
RAL-THA-4aa06b95-5
0.635
RAL-THA-8416115c-6
0.633
RAL-THA-8416115c-10
0.632
RAL-THA-4aa06b95-7
0.625
RAL-THA-8416115c-1
0.625
RAL-THA-8416115c-9
0.625
MAR-UCB-6ab2ec87-7
0.622
ALP-POS-d054b76b-3
0.619
MAR-UCB-6ab2ec87-6
0.611
RAL-THA-8416115c-11
0.600
ALP-POS-966f8da6-1
0.600
ALP-UNI-b33a865d-1
0.600
RAL-THA-8416115c-14
0.594
MIC-UNK-45817b9b-2
0.591
RAL-THA-8416115c-5
0.588
ALP-POS-477dc5b7-2
0.587
EDJ-MED-92e193ae-1
0.587
EDJ-MED-92e193ae-2
0.587
MIC-UNK-91acba05-5
0.587
RAL-THA-8416115c-12
0.583
RAL-THA-8416115c-13
0.583
EDJ-MED-0047eae5-1
0.567
MIC-UNK-91acba05-3
0.559
MAT-POS-f7918075-1
0.559
MAT-POS-78e1d523-1
0.559
MAT-POS-66a736cf-1
0.559
ALP-POS-477dc5b7-1
0.559
VLA-UCB-1dbca3b4-15
0.559
LUO-POS-868e8996-13
0.559
LUO-POS-868e8996-14
0.559
MAT-POS-b3e365b9-1
0.559
MAT-POS-b3e365b9-2
0.559
MIC-UNK-91acba05-4
0.559
MAT-POS-acfe5bae-3
0.550
MAT-POS-24589f88-3
0.546
MAT-POS-24589f88-2
0.546
MAT-POS-dd3ad2b5-4
0.546
MAT-POS-4223bc15-3
0.545
LAU-MED-88a3970a-15
0.545
LAU-MED-88a3970a-16
0.545
EDJ-MED-0047eae5-2
0.545
ALP-UNI-ba800595-1
0.543
ALF-EVA-5b152d2f-1
0.542
MAR-UCB-6ab2ec87-1
0.538
RAL-THA-ee48ba5f-4
0.535
MAT-POS-4223bc15-13
0.535
ALP-POS-c56c1477-3
0.533
MAT-POS-f7918075-2
0.533
EDJ-MED-12c115cc-2
0.533
EDJ-MED-12c115cc-1
0.533
MAT-POS-bbbbc21a-2
0.533
MIC-UNK-91acba05-2
0.531
EDJ-MED-eb111c00-1
0.531
ALP-POS-ce760d3f-1
0.531
ALP-POS-fe871b40-2
0.531
MAT-POS-dd3ad2b5-3
0.531
MAT-POS-4223bc15-17
0.530
MAT-POS-4223bc15-1
0.530
MAT-POS-4223bc15-6
0.530
EDJ-MED-1981ceba-2
0.529
RAL-THA-05e671eb-3
0.526
RAL-THA-05e671eb-17
0.526
PET-UNK-f860268d-2
0.525
PET-UNK-f860268d-5
0.525
MAT-POS-4223bc15-2
0.525
PET-UNK-d61f3ea6-2
0.525
MAT-POS-5cd9ea36-2
0.524
BEN-BAS-c2bc0d80-1
0.521
PET-UNK-022eab87-1
0.521