Molecular Properties | |
SMILES: | NS(=O)(=O)CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
MW: | 430.09 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 105.39 |
cLogP: | 2.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-8293a91a-5
RAL-THA-ee48ba5f-5
0.849
EDJ-MED-fa7708b3-1
0.811
RAL-THA-ee48ba5f-1
0.811
RAL-THA-ee48ba5f-2
0.802
RAL-THA-ee48ba5f-6
0.785
RAL-THA-ee48ba5f-3
0.779
MAT-POS-4223bc15-25
0.764
PET-UNK-162c14b2-1
0.744
EDJ-MED-c40d95bc-2
0.744
MAT-POS-4223bc15-21
0.744
MAT-POS-61f37a1a-12
0.744
EDJ-MED-e9a22d5d-1
0.736
MIC-UNK-482af05e-2
0.728
MAT-POS-8293a91a-5
0.728
MAT-POS-4223bc15-26
0.728
MAT-POS-8293a91a-4
0.728
MAT-POS-4223bc15-23
0.728
MAT-POS-4223bc15-27
0.728
MAT-UNK-35705829-1
0.716
MAT-POS-4223bc15-22
0.713
MAT-POS-4223bc15-24
0.713
MIC-UNK-482af05e-1
0.713
MAT-UNK-f490e871-1
0.708
MAT-POS-4223bc15-28
0.705
MAT-POS-dd3ad2b5-4
0.703
MAT-POS-24589f88-2
0.703
MAT-POS-24589f88-3
0.703
MAT-POS-5cd9ea36-15
0.701
MAT-POS-4223bc15-1
0.699
MAT-POS-4223bc15-6
0.699
JOH-UNI-ededfdb6-1
0.691
MAT-POS-5cd9ea36-13
0.691
MAT-UNK-04ae9652-1
0.691
EDJ-MED-c82a5324-3
0.687
MAT-POS-dd3ad2b5-3
0.685
BRU-THA-d60fe444-1
0.684
PET-UNK-af70882d-2
0.684
MAT-POS-dd3ad2b5-1
0.681
BEN-DND-f2e727cd-6
0.681
MAT-POS-4223bc15-3
0.681
EDJ-MED-fa7708b3-2
0.680
PET-UNK-5ba9a1cb-1
0.680
CLI-TLC-36f34aa2-1
0.677
EDJ-MED-c40d95bc-1
0.676
PET-UNK-d61f3ea6-2
0.674
MAT-POS-4223bc15-2
0.674
MAT-POS-5cd9ea36-17
0.670
MAT-POS-4223bc15-5
0.670
ALF-EVA-0e90125c-9
0.670
EDJ-MED-c82a5324-2
0.670
PET-UNK-5ba9a1cb-2
0.670
PET-UNK-5ba9a1cb-3
0.670
BRU-THA-98e973b9-1
0.667
PET-UNK-9b23ef84-2
0.667
RAL-THA-6e4c80cf-1
0.667
MAT-POS-4223bc15-19
0.667
MAT-POS-dd3ad2b5-2
0.667
MAT-POS-4223bc15-13
0.667
NIR-WEI-dcc3321b-6
0.663
MAT-POS-5cd9ea36-24
0.663
EDJ-MED-76744c27-3
0.663
RAL-THA-6e4c80cf-2
0.660
BEN-DND-32596b04-7
0.660
EDJ-MED-1981ceba-2
0.660
MAT-POS-4223bc15-20
0.660
EDJ-MED-fa7708b3-3
0.657
EDJ-MED-76744c27-5
0.657
PET-UNK-af70882d-3
0.657
PET-UNK-af70882d-4
0.657
EDJ-MED-7f6e5b75-1
0.657
ANN-CHE-e1757302-2
0.653
MAT-POS-5cd9ea36-2
0.653
MAT-POS-4223bc15-7
0.653
MAT-POS-4223bc15-15
0.653
MAT-POS-4223bc15-18
0.653
PET-UNK-615ad708-5
0.650
PET-UNK-ff046148-1
0.650
EDJ-MED-1981ceba-4
0.650
MAT-POS-5cd9ea36-16
0.650
PET-UNK-615ad708-2
0.650
MAT-POS-4223bc15-35
0.649
PET-UNK-94036022-1
0.647
ANN-CHE-e1757302-5
0.647
XIA-UNK-284f966f-1
0.647
PET-UNK-94036022-8
0.647
MAT-POS-4223bc15-29
0.646
PET-UNK-d61f3ea6-1
0.646
MAT-POS-5cd9ea36-4
0.646
MAT-POS-dd3ad2b5-5
0.646
MAT-POS-4223bc15-17
0.646
MAT-POS-dc2604c4-4
0.644
EDJ-MED-1981ceba-3
0.644
EDJ-MED-76744c27-6
0.644
PET-UNK-de87a406-1
0.644
ANN-CHE-e1757302-4
0.641
ALF-EVA-0e90125c-3
0.641
DAR-DIA-4987d2cd-1
0.640
MAT-POS-4223bc15-9
0.640
MAT-POS-61f37a1a-2
0.640
MAT-POS-5cd9ea36-3
0.640