Molecular Properties | |
SMILES: | COC1CN(S(=O)(=O)N2Cc3ccccc3C(C(=O)Nc3cncc4ccccc34)C2)C1 |
MW: | 452.15 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 91.84 |
cLogP: | 2.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-139368ae-2
0.784
EDJ-MED-139368ae-4
0.769
EDJ-MED-139368ae-5
0.769
EDJ-MED-139368ae-1
0.742
EDJ-MED-1981ceba-3
0.740
EDJ-MED-28cccd0c-2
0.646
EDJ-MED-28cccd0c-4
0.624
EDJ-MED-28cccd0c-3
0.621
EDJ-MED-28cccd0c-1
0.600
EDJ-MED-54fbebd8-1
0.596
BEN-DND-32596b04-7
0.588
BEN-DND-32596b04-2
0.575
EDJ-MED-1981ceba-5
0.575
EDJ-MED-1981ceba-2
0.573
EDJ-MED-54fbebd8-2
0.570
EDJ-MED-54fbebd8-4
0.569
BEN-DND-fa51d92c-21
0.569
EDJ-MED-54fbebd8-5
0.567
EDJ-MED-1981ceba-4
0.566
PET-UNK-d61f3ea6-1
0.562
BEN-DND-32596b04-8
0.561
BEN-DND-fa51d92c-24
0.559
MAT-POS-4223bc15-11
0.556
BEN-DND-fa51d92c-22
0.548
BEN-DND-fa51d92c-23
0.548
EDJ-MED-1981ceba-1
0.546
EDJ-MED-54fbebd8-3
0.544
BEN-DND-32596b04-1
0.541
MAT-POS-4223bc15-2
0.538
MAT-POS-dd3ad2b5-4
0.529
MAT-POS-24589f88-3
0.529
MAT-POS-24589f88-2
0.529
MAT-POS-4223bc15-6
0.529
MAT-POS-4223bc15-1
0.529
PET-UNK-d61f3ea6-4
0.527
MAT-POS-4223bc15-3
0.514
PET-UNK-af70882d-4
0.514
PET-UNK-d61f3ea6-2
0.509
EDJ-MED-cf877e1d-1
0.509
MAT-POS-5cd9ea36-16
0.509
MAT-POS-4223bc15-13
0.505
ANN-CHE-e1757302-2
0.500
EDJ-MED-7f6e5b75-1
0.500
EDJ-MED-487c5e9f-8
0.500
MAT-POS-4223bc15-4
0.500
MAT-POS-4223bc15-7
0.495
MAT-POS-4223bc15-15
0.495
MAT-POS-5cd9ea36-17
0.495
MAT-POS-64942dd0-3
0.495
EDJ-MED-76744c27-7
0.491
EDJ-MED-76744c27-2
0.491
MAT-POS-4223bc15-29
0.491
MAT-POS-5cd9ea36-4
0.491
BRU-THA-98e973b9-1
0.491
BRU-THA-d60fe444-1
0.491
MAT-POS-4223bc15-16
0.487
ALF-EVA-07677224-7
0.487
MAT-POS-bf364d7a-8
0.487
EDJ-MED-76744c27-4
0.487
MAT-POS-bf364d7a-7
0.487
ALF-EVA-0e90125c-4
0.487
JOH-SUS-07b743f6-5
0.487
MAT-POS-4223bc15-9
0.486
PET-UNK-af70882d-3
0.486
EDJ-MED-76744c27-5
0.486
MAT-POS-5cd9ea36-19
0.486
MAT-POS-61f37a1a-2
0.486
MAT-POS-5cd9ea36-20
0.486
MAT-POS-4223bc15-19
0.486
RAL-THA-6e4c80cf-1
0.486
MAT-POS-af1eef35-2
0.483
MAT-POS-51135489-1
0.483
EDJ-MED-e18764cb-3
0.483
ALF-EVA-07677224-4
0.482
XIA-UNK-50bd045a-1
0.482
PET-UNK-d61f3ea6-3
0.482
MAT-POS-4223bc15-5
0.482
MAT-POS-5cd9ea36-2
0.482
MAT-POS-5cd9ea36-22
0.479
MAT-POS-dc2604c4-2
0.479
MAT-POS-5cd9ea36-18
0.478
MAT-POS-4223bc15-31
0.478
MAT-POS-dc2604c4-4
0.478
PET-UNK-de87a406-1
0.478
EDJ-MED-76744c27-6
0.478
EDJ-MED-76744c27-3
0.477
MAT-POS-5cd9ea36-24
0.477
MAT-POS-4223bc15-10
0.474
BEN-DND-32596b04-5
0.474
ALF-EVA-0e90125c-5
0.474
EDJ-MED-4fff0a85-2
0.474
MAT-POS-dd1fff26-1
0.474
MAT-POS-dd1fff26-2
0.474
JOH-SUS-07b743f6-7
0.474
MAT-POS-5cd9ea36-10
0.474
MAT-POS-4223bc15-8
0.474
MAT-POS-5cd9ea36-3
0.473
BEN-DND-32596b04-4
0.470
MAT-POS-5cd9ea36-21
0.470
BEN-DND-32596b04-9
0.470