Molecular Properties | |
SMILES: | N#CC1(NS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccccc34)C2)CC1 |
MW: | 481.1 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 115.19 |
cLogP: | 3.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
cyanohydrin
N-C-Hal or cyano methyl
Hetero_hetero
MAT-POS-4223bc15-1
0.766
MAT-POS-5cd9ea36-2
0.735
MAT-POS-5cd9ea36-17
0.735
MAT-POS-5cd9ea36-4
0.727
MAT-POS-4223bc15-29
0.727
BEN-DND-32596b04-9
0.725
MAT-POS-5cd9ea36-3
0.720
MAT-POS-dd3ad2b5-4
0.716
MAT-POS-24589f88-2
0.716
MAT-POS-24589f88-3
0.716
MAT-POS-e194df51-1
0.709
MAT-POS-e194df51-2
0.709
MAT-POS-dc2604c4-1
0.709
MAT-POS-4223bc15-2
0.704
BEN-DND-32596b04-5
0.699
BRU-THA-d60fe444-1
0.697
PET-UNK-615ad708-5
0.696
PET-UNK-ff046148-1
0.696
PET-UNK-615ad708-2
0.696
MAT-POS-4223bc15-3
0.694
MAT-POS-4223bc15-6
0.694
MAT-POS-5cd9ea36-24
0.693
JOH-SUS-07b743f6-6
0.692
BEN-DND-32596b04-3
0.692
MAT-POS-4223bc15-12
0.689
PET-UNK-d61f3ea6-2
0.687
MAT-POS-5cd9ea36-18
0.686
MAT-POS-5cd9ea36-8
0.682
JOH-SUS-07b743f6-2
0.682
BRU-THA-98e973b9-1
0.680
MAT-POS-4223bc15-13
0.680
PET-UNK-d61f3ea6-3
0.680
ALF-EVA-07677224-3
0.680
EDJ-MED-1981ceba-4
0.680
JOH-SUS-07b743f6-3
0.679
BEN-DND-32596b04-6
0.679
MAT-POS-5cd9ea36-5
0.676
EDJ-MED-1981ceba-2
0.673
BEN-DND-32596b04-7
0.673
MAT-POS-dc2604c4-4
0.673
EDJ-MED-76744c27-6
0.673
JOH-SUS-07b743f6-1
0.673
MAT-POS-5cd9ea36-9
0.667
MAT-POS-5cd9ea36-10
0.667
JOH-SUS-07b743f6-5
0.667
JOH-SUS-07b743f6-7
0.667
MAT-POS-4223bc15-5
0.667
MAT-POS-4223bc15-7
0.667
MAT-POS-4223bc15-10
0.667
MAT-POS-4223bc15-15
0.667
MAT-POS-dd1fff26-1
0.667
MAT-POS-dd1fff26-2
0.667
MAT-POS-777f5926-3
0.667
MAT-POS-777f5926-4
0.667
ALP-POS-07e1ed01-1
0.667
MAT-POS-dc2604c4-3
0.667
MAT-POS-5cd9ea36-16
0.663
ALP-POS-07e1ed01-2
0.661
PET-UNK-af70882d-1
0.660
EDJ-MED-76744c27-1
0.660
JOH-SUS-07b743f6-4
0.660
MAT-POS-bf364d7a-6
0.660
MAT-POS-bf364d7a-5
0.660
XIA-UNK-284f966f-1
0.660
PET-UNK-94036022-1
0.660
PET-UNK-94036022-8
0.660
MAT-POS-5cd9ea36-1
0.660
EDJ-MED-76744c27-3
0.660
PET-UNK-d61f3ea6-1
0.660
MAT-POS-5cd9ea36-6
0.658
MAT-POS-bf364d7a-10
0.658
MAT-POS-bf364d7a-9
0.658
MAT-POS-5cd9ea36-21
0.657
ALF-EVA-07677224-2
0.657
BEN-DND-32596b04-8
0.657
XIA-UNK-c8ef6831-1
0.654
MAT-POS-4223bc15-31
0.654
ALP-POS-395d3f9b-1
0.654
MAT-POS-5cd9ea36-12
0.654
PET-UNK-af70882d-4
0.654
EDJ-MED-7f6e5b75-1
0.654
EDJ-MED-76744c27-5
0.654
MAT-POS-5cd9ea36-19
0.654
MAT-POS-5cd9ea36-20
0.654
MAT-POS-4223bc15-9
0.654
MAT-POS-61f37a1a-2
0.654
PET-UNK-af70882d-3
0.654
MAT-POS-bf364d7a-11
0.652
MAT-POS-bf364d7a-12
0.652
MAT-POS-5cd9ea36-7
0.652
EDJ-MED-4fff0a85-2
0.651
MAT-POS-5cd9ea36-11
0.651
ALF-EVA-07677224-6
0.651
ALF-EVA-0e90125c-4
0.651
PET-UNK-162c14b2-1
0.650
MAT-POS-61f37a1a-12
0.650
EDJ-MED-76744c27-4
0.648
PET-UNK-d61f3ea6-4
0.648
MAT-POS-bf364d7a-7
0.648
MAT-POS-bf364d7a-8
0.648