Molecular Properties | |
SMILES: | CNS(=O)(=O)N1CC[C@H](C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc21 |
MW: | 430.09 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 91.4 |
cLogP: | 3.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
RAL-THA-4aa06b95-1
DAR-DIA-0f2f46c9-9
1.000
DAR-DIA-0f2f46c9-8
1.000
DAR-DIA-0f2f46c9-4
0.810
DAR-DIA-0f2f46c9-5
0.810
DAR-DIA-0f2f46c9-6
0.810
DAR-DIA-0f2f46c9-10
0.798
DAR-DIA-0f2f46c9-3
0.779
DAR-DIA-0f2f46c9-1
0.779
DAR-DIA-0f2f46c9-2
0.779
DAR-DIA-0f2f46c9-13
0.764
DAR-DIA-0f2f46c9-14
0.764
EDG-MED-5d232de5-6
0.685
RAL-THA-8416115c-2
0.685
EDG-MED-5d232de5-5
0.685
DAR-DIA-0f2f46c9-12
0.685
MIC-UNK-91acba05-6
0.685
RAL-THA-8416115c-3
0.681
ALP-POS-d054b76b-1
0.678
ALP-POS-966f8da6-2
0.670
EDG-MED-5d232de5-3
0.670
EDG-MED-5d232de5-4
0.670
RAL-THA-c11c1343-1
0.670
RAL-THA-4aa06b95-3
0.667
RAL-THA-4aa06b95-6
0.663
DAR-DIA-0f2f46c9-11
0.656
RAL-THA-4aa06b95-1
0.652
RAL-THA-8416115c-4
0.649
RAL-THA-8416115c-10
0.646
RAL-THA-4aa06b95-4
0.642
RAL-THA-8416115c-9
0.639
RAL-THA-4aa06b95-2
0.632
RAL-THA-8416115c-7
0.632
MAT-POS-acfe5bae-3
0.629
RAL-THA-8416115c-8
0.625
RAL-THA-4aa06b95-7
0.622
RAL-THA-8416115c-1
0.622
MAR-UCB-6ab2ec87-7
0.620
RAL-THA-4aa06b95-5
0.616
ALP-POS-d054b76b-3
0.616
MAR-UCB-6ab2ec87-6
0.609
MIC-UNK-45817b9b-2
0.589
ALP-UNI-b33a865d-1
0.583
RAL-THA-8416115c-11
0.583
ALP-POS-966f8da6-1
0.583
RAL-THA-8416115c-6
0.583
RAL-THA-8416115c-14
0.577
MAT-POS-4223bc15-1
0.576
RAL-THA-8416115c-5
0.571
MIC-UNK-91acba05-5
0.568
EDJ-MED-92e193ae-1
0.568
ALP-POS-477dc5b7-2
0.568
EDJ-MED-92e193ae-2
0.568
RAL-THA-8416115c-12
0.566
RAL-THA-8416115c-13
0.566
EDJ-MED-0047eae5-1
0.566
LUO-POS-868e8996-13
0.558
LUO-POS-868e8996-14
0.558
MAT-POS-66a736cf-1
0.558
MIC-UNK-91acba05-3
0.558
MAT-POS-24589f88-2
0.545
MAT-POS-24589f88-3
0.545
MAT-POS-dd3ad2b5-4
0.545
EDJ-MED-b774e9fe-3
0.545
MAT-POS-dd3ad2b5-5
0.545
EDJ-MED-2791eece-8
0.545
EDJ-MED-0047eae5-2
0.544
MAT-POS-f7918075-1
0.542
ALP-POS-477dc5b7-1
0.542
MIC-UNK-91acba05-4
0.542
MAT-POS-b3e365b9-1
0.542
VLA-UCB-1dbca3b4-15
0.542
MAT-POS-78e1d523-1
0.542
MAT-POS-b3e365b9-2
0.542
MAT-POS-5cd9ea36-4
0.533
RAL-THA-ee48ba5f-1
0.533
EDJ-MED-fa7708b3-1
0.533
MAT-POS-4223bc15-29
0.533
ALP-POS-c56c1477-3
0.532
MIC-UNK-91acba05-2
0.531
EDJ-MED-eb111c00-1
0.531
PET-UNK-9b23ef84-2
0.530
MAT-POS-4223bc15-19
0.530
RAL-THA-6e4c80cf-1
0.530
ALP-POS-fe871b40-2
0.530
MAT-POS-dd3ad2b5-2
0.530
MAT-POS-4223bc15-3
0.529
MAT-POS-4223bc15-6
0.529
ALP-UNI-ba800595-1
0.526
BEN-DND-f2e727cd-6
0.525
MAT-POS-dd3ad2b5-1
0.525
ALF-EVA-5b152d2f-1
0.525
PET-UNK-d61f3ea6-2
0.524
RAL-THA-ee48ba5f-5
0.524
MAT-POS-4223bc15-2
0.524
MAT-POS-5cd9ea36-2
0.524
MAT-POS-5cd9ea36-17
0.524
BEN-BAS-c2bc0d80-1
0.521
MAR-UCB-6ab2ec87-1
0.521
MAT-POS-2e8b2191-1
0.520
PET-UNK-4d432d33-6
0.520