Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1c2cc(Cl)ccc2CCN1S(=O)(=O)C1COC1 |
MW: | 457.09 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 88.6 |
cLogP: | 3.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxetanes, thietanes
Hetero_hetero
EDJ-MED-487c5e9f-11
0.856
EDJ-MED-2791eece-10
0.849
EDJ-MED-2791eece-6
0.753
EDJ-MED-b774e9fe-2
0.753
EDJ-MED-036ae2e9-7
0.753
EDJ-MED-b774e9fe-3
0.728
EDJ-MED-2791eece-8
0.728
EDJ-MED-036ae2e9-3
0.728
EDJ-MED-2791eece-11
0.720
EDJ-MED-487c5e9f-7
0.711
EDJ-MED-036ae2e9-9
0.705
EDJ-MED-036ae2e9-10
0.705
EDJ-MED-487c5e9f-10
0.694
EDJ-MED-036ae2e9-11
0.670
EDJ-MED-036ae2e9-12
0.663
EDJ-MED-487c5e9f-5
0.663
EDJ-MED-487c5e9f-6
0.663
EDJ-MED-487c5e9f-8
0.663
EDJ-MED-487c5e9f-2
0.650
MAT-POS-fb82b63d-3
0.645
EDJ-MED-487c5e9f-12
0.645
EDJ-MED-487c5e9f-3
0.644
ALP-POS-d054b76b-2
0.632
EDJ-MED-b774e9fe-1
0.632
EDJ-MED-2791eece-2
0.632
EDJ-MED-036ae2e9-1
0.625
EDJ-MED-2791eece-1
0.622
EDJ-MED-2791eece-12
0.619
EDJ-MED-036ae2e9-2
0.612
MAT-POS-fb82b63d-4
0.606
EDJ-MED-2791eece-5
0.594
EDJ-MED-2791eece-4
0.588
EDJ-MED-036ae2e9-4
0.587
MAT-POS-4223bc15-7
0.583
EDJ-MED-2791eece-3
0.583
EDJ-MED-2791eece-7
0.583
EDJ-MED-036ae2e9-6
0.577
EDJ-MED-036ae2e9-8
0.575
EDJ-MED-487c5e9f-1
0.570
ALP-POS-d054b76b-4
0.566
EDJ-MED-487c5e9f-4
0.561
MAT-POS-fb82b63d-1
0.557
EDJ-MED-2791eece-9
0.556
EDJ-MED-036ae2e9-5
0.550
DAR-DIA-4987d2cd-4
0.538
DAR-DIA-4987d2cd-3
0.533
MAT-POS-4223bc15-8
0.527
BEN-DND-f2e727cd-4
0.525
ALP-UNI-c3ef0aba-2
0.525
MIC-UNK-91acba05-4
0.525
ALP-POS-477dc5b7-1
0.525
ALF-EVA-07677224-2
0.518
MAT-POS-dd3ad2b5-4
0.515
MAT-POS-24589f88-2
0.515
MAT-POS-24589f88-3
0.515
MAT-POS-4223bc15-3
0.514
PET-UNK-d61f3ea6-2
0.509
BRU-THA-98e973b9-1
0.505
BRU-THA-d60fe444-1
0.505
MAT-POS-4223bc15-13
0.505
MAT-POS-5cd9ea36-24
0.505
EDJ-MED-1981ceba-1
0.505
MAT-POS-4223bc15-6
0.500
JOH-SUS-07b743f6-3
0.500
MAT-POS-4223bc15-1
0.500
EDJ-MED-1981ceba-2
0.500
ALF-EVA-07677224-3
0.495
PET-UNK-d61f3ea6-3
0.495
MAT-POS-4223bc15-15
0.495
MAT-POS-4223bc15-2
0.495
BEN-DND-f2e727cd-5
0.495
MAT-POS-d8472c4f-5
0.495
MAT-POS-3ccb8ef6-2
0.495
MAT-POS-3ccb8ef6-1
0.495
BEN-DND-32596b04-2
0.491
EDJ-MED-1981ceba-5
0.491
MAT-POS-4223bc15-29
0.491
EDJ-MED-fa7708b3-1
0.491
EDJ-MED-76744c27-3
0.491
RAL-THA-ee48ba5f-1
0.491
PET-UNK-d61f3ea6-1
0.491
EDJ-MED-c82a5324-2
0.487
MAT-POS-5cd9ea36-9
0.487
ALF-EVA-07677224-6
0.487
JOH-SUS-07b743f6-5
0.487
MAT-POS-4223bc15-11
0.487
PET-UNK-af70882d-3
0.486
BEN-DND-32596b04-7
0.486
MAT-POS-dd3ad2b5-3
0.486
EDJ-MED-12c115cc-1
0.485
EDJ-MED-12c115cc-2
0.485
MAT-POS-bbbbc21a-2
0.485
MAT-POS-f7918075-2
0.485
JOH-SUS-07b743f6-4
0.482
PET-UNK-af70882d-2
0.482
PET-UNK-615ad708-5
0.482
PET-UNK-ff046148-1
0.482
PET-UNK-615ad708-2
0.482
MAT-POS-4223bc15-5
0.482
MAT-POS-5cd9ea36-2
0.482