Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@@H]1CN(S(=O)(=O)CC2(Cl)CC2)Cc2ccc(Cl)cc21 |
MW: | 489.07 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 79.37 |
cLogP: | 4.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
tertiary_halide_sulfate
Filter1_2_halo_ether
Filter84_nitrogen_mustard
Hetero_hetero
Alkyl Halide
PET-UNK-8f269638-2
PET-UNK-8f269638-1
PET-UNK-94036022-14
PET-UNK-94036022-11
PET-UNK-94036022-9
PET-UNK-94036022-8
PET-UNK-94036022-7
PET-UNK-94036022-5
PET-UNK-94036022-1
PET-UNK-94036022-12
PET-UNK-94036022-10
PET-UNK-94036022-3
PET-UNK-94036022-13
PET-UNK-94036022-6
PET-UNK-94036022-2
PET-UNK-94036022-4
PET-UNK-615ad708-5
1.000
PET-UNK-ff046148-1
1.000
MAT-POS-5cd9ea36-9
0.830
MAT-POS-5cd9ea36-10
0.830
MAT-POS-dd1fff26-1
0.830
MAT-POS-dd1fff26-2
0.830
MAT-POS-dc2604c4-1
0.821
MAT-POS-e194df51-1
0.821
PET-UNK-94036022-1
0.821
XIA-UNK-284f966f-1
0.821
PET-UNK-94036022-8
0.821
MAT-POS-e194df51-2
0.821
ALP-POS-395d3f9b-1
0.812
XIA-UNK-c8ef6831-1
0.812
MAT-POS-4223bc15-6
0.811
ALF-EVA-07677224-7
0.804
EDJ-MED-76744c27-4
0.804
ALF-EVA-07677224-9
0.804
MAT-POS-bf364d7a-7
0.804
MAT-POS-bf364d7a-8
0.804
JOH-SUS-07b743f6-6
0.802
PET-UNK-af70882d-4
0.798
MAT-POS-4223bc15-12
0.796
BRU-THA-d60fe444-1
0.793
ALP-POS-07e1ed01-1
0.788
MAT-POS-dc2604c4-3
0.788
MAT-POS-5cd9ea36-8
0.788
MAT-POS-777f5926-3
0.788
MAT-POS-777f5926-4
0.788
MAT-POS-dc2604c4-2
0.788
JOH-SUS-07b743f6-3
0.786
MAT-POS-5cd9ea36-5
0.780
EDJ-MED-76744c27-5
0.779
JOH-SUS-07b743f6-1
0.778
MAT-POS-bf364d7a-1
0.778
MAT-POS-bf364d7a-2
0.778
EDJ-MED-4fff0a85-3
0.778
MAT-POS-4223bc15-5
0.777
JOH-SUS-07b743f6-2
0.770
EDJ-MED-76744c27-3
0.768
MAT-POS-5cd9ea36-24
0.768
PET-UNK-ff046148-2
0.765
ALP-POS-07e1ed01-2
0.762
EDJ-MED-7f6e5b75-1
0.760
PET-UNK-af70882d-3
0.760
MAT-POS-5cd9ea36-12
0.758
MAT-POS-5cd9ea36-6
0.757
MAT-POS-bf364d7a-9
0.757
MAT-POS-bf364d7a-10
0.757
MAT-POS-4223bc15-14
0.755
MAT-POS-5cd9ea36-11
0.755
PET-UNK-af70882d-2
0.753
MAT-POS-bf364d7a-12
0.750
MAT-POS-5cd9ea36-7
0.750
MAT-POS-bf364d7a-11
0.750
ANN-CHE-e1757302-3
0.747
MAT-POS-dc2604c4-4
0.745
EDJ-MED-76744c27-6
0.745
PET-UNK-de87a406-1
0.745
MAT-POS-24589f88-2
0.739
MAT-POS-24589f88-3
0.739
MAT-POS-dd3ad2b5-4
0.739
EDJ-MED-4fff0a85-2
0.737
ANN-CHE-e1757302-1
0.737
ANN-CHE-e1757302-2
0.737
ALF-EVA-0e90125c-4
0.737
MAT-POS-4223bc15-4
0.737
PET-UNK-af70882d-1
0.730
MAT-POS-bf364d7a-5
0.730
EDJ-MED-76744c27-1
0.730
MAT-POS-5cd9ea36-1
0.730
EDJ-MED-4fff0a85-4
0.730
MAT-POS-bf364d7a-3
0.730
MAT-POS-bf364d7a-4
0.730
MAT-POS-bf364d7a-6
0.730
ANN-CHE-e1757302-5
0.730
EDJ-MED-76744c27-2
0.723
EDJ-MED-76744c27-7
0.723
ANN-CHE-e1757302-4
0.723
MAT-POS-4223bc15-1
0.716
MAT-POS-4223bc15-3
0.716
BEN-DND-32596b04-7
0.711
MAT-POS-4223bc15-2
0.708
PET-UNK-d61f3ea6-2
0.708
MAT-POS-5cd9ea36-17
0.704
MAT-POS-4223bc15-7
0.704
MAT-POS-4223bc15-15
0.704
EDJ-MED-4fff0a85-1
0.702
ALF-EVA-0e90125c-6
0.702
BRU-THA-98e973b9-1
0.701
MAT-POS-4223bc15-13
0.701
DAR-DIA-5e50e037-1
0.696
ALF-EVA-0e90125c-7
0.695
EDJ-MED-1981ceba-2
0.694
MAT-POS-5cd9ea36-2
0.687
JOH-SUS-07b743f6-7
0.686
PET-UNK-d61f3ea6-3
0.683
MAT-POS-5cd9ea36-16
0.683
PET-UNK-d61f3ea6-1
0.680
MAT-POS-5cd9ea36-4
0.680