Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1c2cc(Cl)ccc2CCN1S(=O)(=O)c1ncc[nH]1 |
MW: | 467.08 |
Fraction sp3: | 0.14 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 108.05 |
cLogP: | 3.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-2791eece-6
0.705
EDJ-MED-b774e9fe-2
0.705
EDJ-MED-036ae2e9-3
0.701
EDJ-MED-2791eece-8
0.684
EDJ-MED-2791eece-10
0.684
EDJ-MED-b774e9fe-3
0.684
EDJ-MED-036ae2e9-10
0.680
EDJ-MED-036ae2e9-9
0.680
EDJ-MED-2791eece-11
0.677
EDJ-MED-036ae2e9-7
0.673
EDJ-MED-487c5e9f-9
0.663
EDJ-MED-487c5e9f-7
0.654
EDJ-MED-487c5e9f-10
0.654
EDJ-MED-036ae2e9-11
0.648
EDJ-MED-036ae2e9-12
0.642
EDJ-MED-487c5e9f-6
0.642
EDJ-MED-487c5e9f-8
0.642
MAT-POS-4223bc15-30
0.642
EDJ-MED-487c5e9f-3
0.639
EDJ-MED-487c5e9f-11
0.632
EDJ-MED-487c5e9f-2
0.615
EDJ-MED-487c5e9f-12
0.611
EDJ-MED-b774e9fe-1
0.610
EDJ-MED-2791eece-2
0.610
ALP-POS-d054b76b-2
0.610
MAT-POS-fb82b63d-3
0.606
EDJ-MED-036ae2e9-1
0.604
EDJ-MED-2791eece-12
0.598
EDJ-MED-036ae2e9-2
0.592
EDJ-MED-2791eece-1
0.587
EDJ-MED-2791eece-5
0.575
MAT-POS-fb82b63d-4
0.571
EDJ-MED-2791eece-4
0.570
EDJ-MED-2791eece-7
0.565
EDJ-MED-036ae2e9-6
0.560
EDJ-MED-036ae2e9-8
0.559
EDJ-MED-487c5e9f-4
0.559
EDJ-MED-036ae2e9-4
0.555
EDJ-MED-487c5e9f-1
0.554
EDJ-MED-2791eece-3
0.550
ALP-POS-d054b76b-4
0.550
EDJ-MED-2791eece-9
0.540
EDJ-MED-036ae2e9-5
0.535
MAT-POS-24589f88-3
0.514
MAT-POS-dd3ad2b5-4
0.514
MAT-POS-24589f88-2
0.514
MAT-POS-4223bc15-32
0.513
MIC-UNK-91acba05-4
0.510
ALP-POS-477dc5b7-1
0.510
MAT-POS-fb82b63d-1
0.510
DAR-DIA-4987d2cd-4
0.509
EDJ-MED-12c4873b-7
0.509
RAL-THA-952697e1-1
0.509
RAL-THA-952697e1-2
0.509
DAR-DIA-4987d2cd-3
0.505
ALF-EVA-07677224-2
0.504
ALF-EVA-07677224-10
0.504
MAT-POS-4223bc15-1
0.500
EDJ-MED-1981ceba-2
0.500
MAT-POS-4223bc15-3
0.500
MAT-POS-4223bc15-6
0.500
PET-UNK-d61f3ea6-3
0.496
MAT-POS-4223bc15-15
0.496
MAT-POS-4223bc15-5
0.496
MAT-POS-4223bc15-2
0.495
PET-UNK-d61f3ea6-2
0.495
ALF-EVA-07677224-5
0.492
EDJ-MED-12c4873b-5
0.491
RAL-THA-952697e1-3
0.491
RAL-THA-952697e1-4
0.491
RAL-THA-ee48ba5f-6
0.491
MAT-POS-777f5926-2
0.491
PET-UNK-d61f3ea6-1
0.491
EDJ-MED-76744c27-3
0.491
MAT-POS-5cd9ea36-4
0.491
MAT-POS-4223bc15-13
0.491
BRU-THA-98e973b9-1
0.491
BRU-THA-d60fe444-1
0.491
ALP-POS-a577c8a2-3
0.487
ALF-EVA-07677224-8
0.487
ALF-EVA-07677224-6
0.487
BEN-DND-32596b04-1
0.487
RAL-THA-8416115c-5
0.487
PET-UNK-af70882d-3
0.487
MAT-POS-5cd9ea36-3
0.487
MAT-POS-5cd9ea36-20
0.487
CLI-TLC-3a13eaf2-1
0.487
BEN-DND-32596b04-7
0.487
MAT-POS-dd3ad2b5-3
0.486
PET-UNK-9b23ef84-2
0.486
MAT-POS-4223bc15-19
0.486
MAT-POS-dd3ad2b5-2
0.486
RAL-THA-6e4c80cf-1
0.486
XIA-UNK-284f966f-1
0.483
PET-UNK-94036022-1
0.483
PET-UNK-94036022-8
0.483
ALF-EVA-0e90125c-8
0.483
ANN-CHE-e1757302-3
0.483
PET-UNK-af70882d-2
0.483
MAT-POS-5cd9ea36-17
0.482