Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1c2cc(Cl)ccc2CCN1S(=O)(=O)C1CCOC1 |
MW: | 471.1 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 88.6 |
cLogP: | 3.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-487c5e9f-9
0.856
EDJ-MED-2791eece-10
0.822
EDJ-MED-2791eece-6
0.713
EDJ-MED-b774e9fe-2
0.713
EDJ-MED-487c5e9f-7
0.693
EDJ-MED-b774e9fe-3
0.691
EDJ-MED-2791eece-8
0.691
EDJ-MED-036ae2e9-3
0.691
EDJ-MED-036ae2e9-10
0.687
EDJ-MED-2791eece-11
0.684
EDJ-MED-036ae2e9-7
0.680
EDJ-MED-036ae2e9-9
0.670
EDJ-MED-487c5e9f-10
0.660
EDJ-MED-036ae2e9-11
0.638
EDJ-MED-036ae2e9-12
0.632
EDJ-MED-487c5e9f-5
0.632
EDJ-MED-487c5e9f-6
0.632
EDJ-MED-487c5e9f-8
0.632
EDJ-MED-487c5e9f-12
0.631
EDJ-MED-487c5e9f-2
0.620
EDJ-MED-487c5e9f-3
0.615
MAT-POS-fb82b63d-3
0.612
EDJ-MED-036ae2e9-1
0.610
MAT-POS-4223bc15-8
0.602
EDJ-MED-b774e9fe-1
0.600
EDJ-MED-2791eece-2
0.600
ALP-POS-d054b76b-2
0.600
MAT-POS-fb82b63d-4
0.592
EDJ-MED-2791eece-1
0.592
EDJ-MED-2791eece-12
0.588
EDJ-MED-036ae2e9-2
0.583
EDJ-MED-2791eece-5
0.566
EDJ-MED-036ae2e9-6
0.565
EDJ-MED-2791eece-4
0.561
EDJ-MED-036ae2e9-4
0.560
EDJ-MED-2791eece-3
0.556
EDJ-MED-2791eece-7
0.556
EDJ-MED-036ae2e9-8
0.550
EDJ-MED-487c5e9f-1
0.545
ALP-POS-d054b76b-4
0.541
EDJ-MED-487c5e9f-4
0.536
EDJ-MED-2791eece-9
0.531
MAT-POS-4223bc15-7
0.527
EDJ-MED-036ae2e9-5
0.526
ALP-POS-477dc5b7-1
0.515
BEN-DND-f2e727cd-4
0.515
MAT-POS-fb82b63d-1
0.515
ALP-UNI-c3ef0aba-2
0.515
MIC-UNK-91acba05-4
0.515
MAT-POS-4223bc15-3
0.505
DAR-DIA-4987d2cd-4
0.500
EDJ-MED-4fff0a85-1
0.496
EDJ-MED-1981ceba-1
0.496
DAR-DIA-4987d2cd-3
0.495
MAT-POS-24589f88-3
0.491
MAT-POS-dd3ad2b5-4
0.491
MAT-POS-24589f88-2
0.491
PET-UNK-d61f3ea6-2
0.486
ALF-EVA-07677224-2
0.483
EDJ-MED-76744c27-3
0.482
MAT-POS-4223bc15-13
0.482
JOH-SUS-07b743f6-3
0.479
MAT-POS-4223bc15-11
0.479
EDJ-MED-1981ceba-2
0.478
MAT-POS-4223bc15-1
0.477
MAT-POS-4223bc15-6
0.477
ALF-EVA-07677224-4
0.475
PET-UNK-d61f3ea6-3
0.474
MAT-POS-4223bc15-15
0.474
MAT-POS-5cd9ea36-2
0.474
MAT-POS-4223bc15-2
0.473
DAR-DIA-0f2f46c9-10
0.472
MAT-POS-b3e365b9-1
0.472
MAT-POS-3ccb8ef6-1
0.472
MAT-POS-b3e365b9-2
0.472
MAT-POS-f7918075-1
0.472
VLA-UCB-1dbca3b4-15
0.472
BEN-DND-f2e727cd-5
0.472
MAT-POS-d8472c4f-5
0.472
MAT-POS-3ccb8ef6-2
0.472
ANN-CHE-e1757302-4
0.471
BEN-DND-32596b04-2
0.470
EDJ-MED-1981ceba-5
0.470
DAR-DIA-d8bd013f-3
0.470
PET-UNK-d61f3ea6-1
0.470
DAR-DIA-d8bd013f-1
0.470
MAT-POS-5cd9ea36-14
0.470
BRU-THA-98e973b9-1
0.469
BRU-THA-d60fe444-1
0.469
DAR-DIA-0f2f46c9-5
0.468
DAR-DIA-0f2f46c9-4
0.468
DAR-DIA-0f2f46c9-6
0.468
ALF-EVA-07677224-6
0.466
JOH-SUS-07b743f6-5
0.466
ANN-CHE-e1757302-1
0.466
MAT-POS-4223bc15-9
0.466
MAT-POS-61f37a1a-2
0.466
MAT-POS-5cd9ea36-3
0.466
MAT-POS-5cd9ea36-20
0.466
BEN-DND-32596b04-7
0.465