Molecular Properties | |
SMILES: | N#CC1OCC1S(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3ccccc23)C1 |
MW: | 482.08 |
Fraction sp3: | 0.26 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 112.39 |
cLogP: | 3.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxetanes, thietanes
Hetero_hetero
JOH-SUS-07b743f6-4
0.804
JOH-SUS-07b743f6-7
0.794
MAT-POS-4223bc15-13
0.777
MAT-POS-4223bc15-7
0.760
MAT-POS-4223bc15-3
0.755
ALF-EVA-07677224-4
0.750
MAT-POS-4223bc15-9
0.745
MAT-POS-61f37a1a-2
0.745
MAT-POS-4223bc15-10
0.740
MAT-POS-4223bc15-15
0.724
MAT-POS-24589f88-2
0.723
MAT-POS-24589f88-3
0.723
MAT-POS-dd3ad2b5-4
0.723
MAT-POS-4223bc15-8
0.723
PET-UNK-d61f3ea6-3
0.720
PET-UNK-d61f3ea6-2
0.711
ALF-EVA-07677224-3
0.703
EDJ-MED-1981ceba-4
0.703
MAT-POS-4223bc15-1
0.701
MAT-POS-4223bc15-6
0.701
MAT-POS-5cd9ea36-24
0.700
EDJ-MED-1981ceba-2
0.697
MAT-POS-4223bc15-2
0.694
BRU-THA-d60fe444-1
0.687
BRU-THA-98e973b9-1
0.687
PET-UNK-d61f3ea6-1
0.683
JOH-SUS-07b743f6-6
0.683
BEN-DND-32596b04-7
0.680
EDJ-MED-1981ceba-1
0.680
EDJ-MED-76744c27-6
0.680
ALF-EVA-07677224-2
0.680
MAT-POS-dc2604c4-4
0.680
ALF-EVA-0e90125c-3
0.676
MAT-POS-5cd9ea36-18
0.676
MAT-POS-5cd9ea36-2
0.673
MAT-POS-5cd9ea36-17
0.673
MAT-POS-4223bc15-5
0.673
MAT-POS-5cd9ea36-16
0.670
JOH-SUS-07b743f6-3
0.670
BEN-DND-32596b04-9
0.667
PET-UNK-af70882d-1
0.667
MAT-POS-bf364d7a-5
0.667
EDJ-MED-76744c27-1
0.667
MAT-POS-5cd9ea36-1
0.667
EDJ-MED-76744c27-3
0.667
MAT-POS-5cd9ea36-4
0.667
MAT-POS-e194df51-1
0.667
MAT-POS-e194df51-2
0.667
MAT-POS-dc2604c4-1
0.667
DAR-DIA-5e50e037-1
0.667
MAT-POS-4223bc15-29
0.667
MAT-POS-bf364d7a-6
0.667
MAT-POS-5cd9ea36-21
0.664
BEN-DND-32596b04-2
0.663
EDJ-MED-1981ceba-3
0.663
EDJ-MED-1981ceba-5
0.663
MAT-POS-5cd9ea36-3
0.660
MAT-POS-5cd9ea36-19
0.660
MAT-POS-5cd9ea36-20
0.660
EDJ-MED-76744c27-5
0.660
PET-UNK-af70882d-3
0.660
PET-UNK-af70882d-4
0.660
EDJ-MED-7f6e5b75-1
0.660
ALF-EVA-0e90125c-4
0.657
BEN-DND-32596b04-1
0.657
ALF-EVA-0e90125c-5
0.657
PET-UNK-615ad708-5
0.654
PET-UNK-af70882d-2
0.654
PET-UNK-ff046148-1
0.654
PET-UNK-615ad708-2
0.654
ALF-EVA-0e90125c-8
0.651
MAT-POS-5cd9ea36-23
0.651
MAT-POS-bf364d7a-3
0.651
ANN-CHE-e1757302-5
0.651
EDJ-MED-4fff0a85-4
0.651
MAT-POS-bf364d7a-4
0.651
JOH-SUS-07b743f6-1
0.648
MAT-POS-4223bc15-12
0.648
BEN-DND-32596b04-8
0.648
PET-UNK-de87a406-1
0.648
ANN-CHE-e1757302-4
0.645
RAL-THA-ee48ba5f-3
0.645
EDJ-MED-4fff0a85-1
0.642
MAT-POS-5cd9ea36-8
0.642
JOH-SUS-07b743f6-2
0.642
ALP-POS-07e1ed01-1
0.642
MAT-POS-dc2604c4-3
0.642
MAT-POS-777f5926-3
0.642
MAT-POS-777f5926-4
0.642
BEN-DND-32596b04-5
0.642
ANN-CHE-e1757302-1
0.642
ANN-CHE-e1757302-2
0.642
MAT-POS-dd1fff26-2
0.642
MAT-POS-4223bc15-4
0.642
MAT-POS-4223bc15-30
0.642
MAT-POS-4223bc15-11
0.642
MAT-POS-4223bc15-14
0.642
EDJ-MED-4fff0a85-2
0.642
MAT-POS-5cd9ea36-9
0.642
MAT-POS-5cd9ea36-10
0.642