Molecular Properties | |
SMILES: | COC1CN(S(=O)(=O)N2CCc3ccc(Cl)cc3C2C(=O)Nc2cncc3ccccc23)C1 |
MW: | 486.11 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 91.84 |
cLogP: | 3.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-487c5e9f-6
0.776
EDJ-MED-487c5e9f-10
0.773
EDJ-MED-487c5e9f-7
0.755
EDJ-MED-2791eece-6
0.723
EDJ-MED-b774e9fe-2
0.723
EDJ-MED-036ae2e9-3
0.719
EDJ-MED-b774e9fe-3
0.701
EDJ-MED-2791eece-8
0.701
EDJ-MED-036ae2e9-11
0.696
EDJ-MED-2791eece-11
0.694
EDJ-MED-2791eece-10
0.684
EDJ-MED-036ae2e9-10
0.680
EDJ-MED-036ae2e9-9
0.663
EDJ-MED-487c5e9f-9
0.663
EDJ-MED-036ae2e9-7
0.657
EDJ-MED-487c5e9f-5
0.642
EDJ-MED-487c5e9f-11
0.632
EDJ-MED-487c5e9f-2
0.630
EDJ-MED-036ae2e9-12
0.626
EDJ-MED-487c5e9f-3
0.624
MAT-POS-fb82b63d-3
0.622
EDJ-MED-1981ceba-3
0.617
EDJ-MED-b774e9fe-1
0.610
EDJ-MED-2791eece-2
0.610
ALP-POS-d054b76b-2
0.610
EDJ-MED-2791eece-3
0.610
ALP-POS-d054b76b-4
0.607
EDJ-MED-2791eece-12
0.598
EDJ-MED-036ae2e9-2
0.592
EDJ-MED-036ae2e9-1
0.588
EDJ-MED-487c5e9f-12
0.583
EDJ-MED-2791eece-5
0.575
MAT-POS-fb82b63d-4
0.571
EDJ-MED-2791eece-1
0.571
EDJ-MED-2791eece-7
0.565
EDJ-MED-2791eece-4
0.556
EDJ-MED-036ae2e9-5
0.549
EDJ-MED-036ae2e9-6
0.545
EDJ-MED-036ae2e9-8
0.545
EDJ-MED-487c5e9f-4
0.545
EDJ-MED-036ae2e9-4
0.541
EDJ-MED-2791eece-9
0.540
MAT-POS-dd3ad2b5-4
0.528
MAT-POS-24589f88-2
0.528
MAT-POS-24589f88-3
0.528
MAT-POS-4223bc15-1
0.528
PET-UNK-af70882d-4
0.527
EDJ-MED-487c5e9f-1
0.526
MAT-POS-5cd9ea36-16
0.522
MAT-POS-5cd9ea36-22
0.517
MAT-POS-4223bc15-6
0.514
EDJ-MED-1981ceba-2
0.514
MAT-POS-4223bc15-4
0.513
MAT-POS-4223bc15-2
0.509
PET-UNK-d61f3ea6-2
0.509
BRU-THA-98e973b9-1
0.505
PET-UNK-d61f3ea6-1
0.504
EDJ-MED-1981ceba-5
0.504
BEN-DND-32596b04-2
0.504
RAL-THA-6e4c80cf-1
0.500
MAT-POS-4223bc15-3
0.500
ALF-EVA-07677224-8
0.500
BEN-DND-32596b04-7
0.500
EDJ-MED-7f6e5b75-1
0.500
MAT-POS-bf364d7a-7
0.500
MAT-POS-bf364d7a-8
0.500
EDJ-MED-139368ae-3
0.500
MAT-POS-4223bc15-19
0.500
MAT-POS-4223bc15-11
0.500
ALF-EVA-07677224-7
0.500
EDJ-MED-76744c27-4
0.500
ALF-EVA-0e90125c-4
0.500
MAT-POS-5cd9ea36-21
0.496
PET-UNK-d61f3ea6-3
0.496
MAT-POS-5cd9ea36-17
0.496
DAR-DIA-4987d2cd-4
0.495
MIC-UNK-91acba05-4
0.495
ALP-POS-477dc5b7-1
0.495
MAT-POS-fb82b63d-1
0.495
MAT-POS-dc2604c4-2
0.492
EDJ-MED-76744c27-2
0.492
EDJ-MED-76744c27-7
0.492
MAT-POS-4223bc15-31
0.492
EDJ-MED-1981ceba-1
0.491
ALF-EVA-07677224-2
0.491
BEN-DND-32596b04-8
0.491
MAT-POS-4223bc15-29
0.491
EDJ-MED-76744c27-3
0.491
MAT-POS-5cd9ea36-4
0.491
DAR-DIA-4987d2cd-3
0.491
BRU-THA-d60fe444-1
0.491
MAT-POS-4223bc15-13
0.491
MAT-POS-4223bc15-16
0.488
ANN-CHE-e1757302-1
0.487
ANN-CHE-e1757302-2
0.487
EDJ-MED-4fff0a85-2
0.487
BEN-DND-32596b04-1
0.487
PET-UNK-af70882d-3
0.487
EDJ-MED-76744c27-5
0.487
MAT-POS-5cd9ea36-19
0.487