Molecular Properties | |
SMILES: | N#CC1OC1S(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3ccccc23)C1 |
MW: | 468.07 |
Fraction sp3: | 0.23 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 115.69 |
cLogP: | 3.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
activated_S#O_3_ring
Three-membered heterocycle
Three-membered heterocycles
Filter40_epoxide_aziridine
epoxides
Hetero_hetero
Three_Membered_Heterocycle
JOH-SUS-07b743f6-4
0.823
JOH-SUS-07b743f6-5
0.794
MAT-POS-4223bc15-3
0.755
MAT-POS-4223bc15-7
0.742
MAT-POS-4223bc15-10
0.740
MAT-POS-4223bc15-13
0.740
JOH-SUS-07b743f6-6
0.733
MAT-POS-4223bc15-15
0.724
MAT-POS-24589f88-2
0.723
MAT-POS-dd3ad2b5-4
0.723
MAT-POS-24589f88-3
0.723
PET-UNK-d61f3ea6-2
0.711
MAT-POS-61f37a1a-2
0.710
MAT-POS-4223bc15-9
0.710
MAT-POS-4223bc15-8
0.706
BRU-THA-d60fe444-1
0.704
PET-UNK-d61f3ea6-3
0.703
EDJ-MED-1981ceba-4
0.703
ALF-EVA-07677224-3
0.703
JOH-SUS-07b743f6-3
0.702
MAT-POS-4223bc15-1
0.701
MAT-POS-4223bc15-6
0.701
MAT-POS-5cd9ea36-24
0.700
ALF-EVA-07677224-4
0.699
MAT-POS-dc2604c4-1
0.699
MAT-POS-e194df51-1
0.699
MAT-POS-e194df51-2
0.699
EDJ-MED-1981ceba-2
0.697
MAT-POS-4223bc15-2
0.694
MAT-POS-5cd9ea36-9
0.689
BRU-THA-98e973b9-1
0.687
PET-UNK-615ad708-2
0.686
PET-UNK-615ad708-5
0.686
PET-UNK-ff046148-1
0.686
PET-UNK-d61f3ea6-1
0.683
BEN-DND-32596b04-7
0.680
EDJ-MED-1981ceba-1
0.680
EDJ-MED-76744c27-6
0.680
MAT-POS-dc2604c4-4
0.680
MAT-POS-4223bc15-12
0.679
JOH-SUS-07b743f6-1
0.679
ALF-EVA-0e90125c-3
0.676
MAT-POS-5cd9ea36-18
0.676
MAT-POS-5cd9ea36-17
0.673
MAT-POS-4223bc15-5
0.673
MAT-POS-5cd9ea36-2
0.673
MAT-POS-5cd9ea36-10
0.673
MAT-POS-dd1fff26-1
0.673
MAT-POS-dd1fff26-2
0.673
MAT-POS-5cd9ea36-8
0.673
MAT-POS-dc2604c4-3
0.673
MAT-POS-777f5926-4
0.673
JOH-SUS-07b743f6-2
0.673
MAT-POS-777f5926-3
0.673
ALP-POS-07e1ed01-1
0.673
MAT-POS-5cd9ea36-16
0.670
ALF-EVA-07677224-9
0.670
PET-UNK-94036022-1
0.667
XIA-UNK-284f966f-1
0.667
PET-UNK-94036022-8
0.667
DAR-DIA-5e50e037-1
0.667
PET-UNK-af70882d-1
0.667
MAT-POS-bf364d7a-5
0.667
MAT-POS-5cd9ea36-4
0.667
MAT-POS-4223bc15-29
0.667
BEN-DND-32596b04-9
0.667
MAT-POS-5cd9ea36-1
0.667
EDJ-MED-76744c27-1
0.667
EDJ-MED-76744c27-3
0.667
MAT-POS-5cd9ea36-5
0.667
ALP-POS-07e1ed01-2
0.667
MAT-POS-bf364d7a-6
0.667
MAT-POS-5cd9ea36-6
0.664
MAT-POS-bf364d7a-9
0.664
MAT-POS-bf364d7a-10
0.664
MAT-POS-5cd9ea36-21
0.664
ALF-EVA-07677224-2
0.663
BEN-DND-32596b04-2
0.663
EDJ-MED-1981ceba-5
0.663
XIA-UNK-c8ef6831-1
0.660
ALP-POS-395d3f9b-1
0.660
PET-UNK-af70882d-3
0.660
MAT-POS-5cd9ea36-19
0.660
PET-UNK-af70882d-4
0.660
EDJ-MED-7f6e5b75-1
0.660
EDJ-MED-76744c27-5
0.660
MAT-POS-5cd9ea36-3
0.660
MAT-POS-5cd9ea36-20
0.660
ALF-EVA-0e90125c-5
0.657
BEN-DND-32596b04-1
0.657
ALF-EVA-07677224-7
0.654
MAT-POS-bf364d7a-8
0.654
EDJ-MED-76744c27-4
0.654
MAT-POS-bf364d7a-7
0.654
PET-UNK-af70882d-2
0.654
ALF-EVA-0e90125c-8
0.651
EDJ-MED-4fff0a85-4
0.651
MAT-POS-5cd9ea36-23
0.651
MAT-POS-bf364d7a-3
0.651
MAT-POS-bf364d7a-4
0.651