Molecular Properties | |
SMILES: | CS(=O)(=O)CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
MW: | 429.09 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 79.37 |
cLogP: | 3.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-8293a91a-5
EDJ-MED-fa7708b3-1
0.862
RAL-THA-ee48ba5f-1
0.862
RAL-THA-ee48ba5f-4
0.849
RAL-THA-ee48ba5f-2
0.831
RAL-THA-ee48ba5f-6
0.793
RAL-THA-ee48ba5f-3
0.768
MAT-POS-4223bc15-24
0.758
MAT-POS-4223bc15-23
0.756
MAT-POS-4223bc15-27
0.756
MAT-POS-8293a91a-4
0.756
MAT-POS-8293a91a-5
0.756
EDJ-MED-c40d95bc-2
0.753
MAT-POS-61f37a1a-12
0.753
PET-UNK-162c14b2-1
0.753
MAT-POS-4223bc15-21
0.753
MAT-POS-4223bc15-25
0.753
MAT-POS-dd3ad2b5-4
0.750
MAT-POS-24589f88-3
0.750
MAT-POS-24589f88-2
0.750
MAT-POS-4223bc15-6
0.744
EDJ-MED-e9a22d5d-1
0.744
MAT-POS-4223bc15-22
0.739
MIC-UNK-482af05e-1
0.739
MAT-POS-4223bc15-26
0.736
MIC-UNK-482af05e-2
0.736
MAT-UNK-f490e871-1
0.734
MAT-POS-4223bc15-28
0.731
MAT-UNK-35705829-1
0.723
JOH-UNI-ededfdb6-1
0.716
MAT-UNK-04ae9652-1
0.716
MAT-POS-5cd9ea36-17
0.713
MAT-POS-5cd9ea36-15
0.708
BEN-DND-f2e727cd-6
0.708
MAT-POS-dd3ad2b5-1
0.708
MAT-POS-4223bc15-1
0.707
RAL-THA-6e4c80cf-2
0.702
MAT-POS-4223bc15-20
0.702
CLI-TLC-36f34aa2-1
0.701
MAT-POS-4223bc15-2
0.699
PET-UNK-d61f3ea6-2
0.699
MAT-POS-5cd9ea36-13
0.698
EDJ-MED-c82a5324-3
0.694
PET-UNK-5ba9a1cb-3
0.694
MAT-POS-4223bc15-19
0.692
RAL-THA-6e4c80cf-1
0.692
PET-UNK-9b23ef84-2
0.692
MAT-POS-dd3ad2b5-2
0.692
BRU-THA-d60fe444-1
0.691
PET-UNK-af70882d-2
0.691
MAT-POS-5cd9ea36-16
0.691
MAT-POS-4223bc15-3
0.688
NIR-WEI-dcc3321b-6
0.687
EDJ-MED-12c4873b-3
0.681
EDJ-MED-76744c27-5
0.680
PET-UNK-af70882d-4
0.680
EDJ-MED-7f6e5b75-1
0.680
PET-UNK-af70882d-3
0.680
EDJ-MED-fa7708b3-3
0.680
MAT-POS-4223bc15-18
0.677
MAT-POS-4223bc15-5
0.677
EDJ-MED-c82a5324-2
0.677
EDJ-MED-4fff0a85-2
0.677
MAT-POS-5cd9ea36-10
0.677
MAT-POS-dd1fff26-2
0.677
ALF-EVA-0e90125c-9
0.677
PET-UNK-5ba9a1cb-2
0.677
ANN-CHE-e1757302-2
0.677
MAT-POS-dd1fff26-1
0.677
MAT-POS-dd3ad2b5-3
0.674
MAT-POS-4223bc15-13
0.674
BRU-THA-98e973b9-1
0.674
MAT-POS-dd3ad2b5-5
0.670
MAT-POS-5cd9ea36-4
0.670
MAT-POS-5cd9ea36-24
0.670
MAT-POS-4223bc15-29
0.670
EDJ-MED-76744c27-3
0.670
PET-UNK-5ba9a1cb-1
0.670
EDJ-MED-fa7708b3-2
0.670
XIA-UNK-50bd045a-1
0.670
PET-UNK-de87a406-1
0.667
EDJ-MED-c40d95bc-1
0.667
EDJ-MED-1981ceba-2
0.667
BEN-DND-32596b04-7
0.667
MAT-POS-5cd9ea36-19
0.663
MAT-POS-5cd9ea36-20
0.663
MAT-POS-4223bc15-4
0.660
BEN-DND-32596b04-5
0.660
ALF-EVA-0e90125c-4
0.660
ALF-EVA-0e90125c-5
0.660
ANN-CHE-e1757302-1
0.660
MAT-POS-5cd9ea36-2
0.660
MAT-POS-4223bc15-7
0.660
MAT-POS-4223bc15-15
0.660
PET-UNK-615ad708-2
0.657
PET-UNK-d61f3ea6-3
0.657
PET-UNK-615ad708-5
0.657
PET-UNK-ff046148-1
0.657
MAT-POS-4223bc15-35
0.656
PET-UNK-af70882d-1
0.653
EDJ-MED-76744c27-1
0.653