Molecular Properties | |
SMILES: | CN1CCN(S(=O)(=O)N2Cc3ccccc3C(C(=O)Nc3cncc4ccccc34)C2)CC1 |
MW: | 465.18 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 85.85 |
cLogP: | 2.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-139368ae-2
0.857
EDJ-MED-139368ae-1
0.809
EDJ-MED-139368ae-3
0.769
EDJ-MED-139368ae-4
0.758
EDJ-MED-1981ceba-5
0.747
BEN-DND-32596b04-2
0.747
EDJ-MED-28cccd0c-2
0.653
EDJ-MED-28cccd0c-4
0.646
EDJ-MED-28cccd0c-3
0.644
EDJ-MED-1981ceba-2
0.626
PET-UNK-d61f3ea6-1
0.614
EDJ-MED-28cccd0c-1
0.606
EDJ-MED-54fbebd8-1
0.602
EDJ-MED-1981ceba-1
0.596
EDJ-MED-54fbebd8-2
0.592
BEN-DND-32596b04-1
0.590
BEN-DND-32596b04-7
0.578
MAT-POS-4223bc15-11
0.575
BEN-DND-fa51d92c-21
0.574
EDJ-MED-54fbebd8-5
0.573
BEN-DND-fa51d92c-22
0.569
BEN-DND-fa51d92c-23
0.569
EDJ-MED-1981ceba-3
0.566
BEN-DND-32596b04-8
0.566
BEN-DND-fa51d92c-24
0.564
EDJ-MED-54fbebd8-4
0.559
EDJ-MED-1981ceba-4
0.557
EDJ-MED-54fbebd8-3
0.549
PET-UNK-d61f3ea6-4
0.545
MAT-POS-4223bc15-2
0.544
MAT-POS-dd3ad2b5-4
0.535
MAT-POS-24589f88-3
0.535
MAT-POS-24589f88-2
0.535
MAT-POS-4223bc15-6
0.534
MAT-POS-4223bc15-1
0.519
MAT-POS-4223bc15-3
0.519
PET-UNK-d61f3ea6-2
0.514
EDJ-MED-cf877e1d-1
0.514
XIA-UNK-50bd045a-1
0.514
MAT-POS-4223bc15-13
0.509
MAT-POS-4223bc15-31
0.509
PET-UNK-af70882d-3
0.505
EDJ-MED-7f6e5b75-1
0.505
ANN-CHE-e1757302-2
0.505
MAT-POS-4223bc15-16
0.504
MAT-POS-4223bc15-15
0.500
MAT-POS-dd3ad2b5-1
0.500
MAT-POS-5cd9ea36-16
0.500
MAT-POS-5cd9ea36-17
0.500
MAT-POS-4223bc15-7
0.500
MAT-POS-64942dd0-3
0.500
BEN-DND-f2e727cd-6
0.500
EDJ-MED-487c5e9f-10
0.500
MAT-POS-5cd9ea36-18
0.496
MAT-POS-5cd9ea36-4
0.495
MAT-POS-5cd9ea36-24
0.495
MAT-POS-4223bc15-29
0.495
BRU-THA-98e973b9-1
0.495
BRU-THA-d60fe444-1
0.495
ALP-POS-07e1ed01-2
0.491
ALF-EVA-07677224-8
0.491
MAT-POS-4223bc15-10
0.491
ALF-EVA-0e90125c-4
0.491
JOH-SUS-07b743f6-5
0.491
JOH-SUS-07b743f6-7
0.491
MAT-POS-5cd9ea36-19
0.491
MAT-POS-61f37a1a-2
0.491
EDJ-MED-76744c27-5
0.491
MAT-POS-5cd9ea36-20
0.491
MAT-POS-4223bc15-9
0.491
PET-UNK-af70882d-4
0.491
BEN-DND-34fc7f90-8
0.490
BEN-DND-a02b439d-15
0.490
MAT-POS-af1eef35-2
0.487
BEN-DND-32596b04-4
0.487
EDJ-MED-e18764cb-3
0.487
MAT-POS-51135489-1
0.487
JOH-SUS-07b743f6-4
0.487
ALF-EVA-07677224-4
0.487
MAT-POS-5cd9ea36-23
0.487
PET-UNK-af70882d-2
0.486
PET-UNK-d61f3ea6-3
0.486
MAT-POS-4223bc15-5
0.486
MAT-POS-5cd9ea36-2
0.486
ALP-POS-c56c1477-1
0.482
PET-UNK-de87a406-1
0.482
BRU-THA-4b053743-1
0.482
EDJ-MED-76744c27-3
0.482
BEN-DND-32596b04-6
0.478
MAT-POS-4223bc15-4
0.478
MAT-POS-4223bc15-8
0.478
BEN-DND-32596b04-5
0.478
ALF-EVA-0e90125c-5
0.478
MAT-POS-dd1fff26-1
0.478
MAT-POS-dd1fff26-2
0.478
EDJ-MED-4fff0a85-2
0.478
MAT-POS-5cd9ea36-10
0.478
MAT-POS-5cd9ea36-3
0.477
MAT-POS-bf364d7a-1
0.474
MAT-POS-bf364d7a-2
0.474