Molecular Properties | |
SMILES: | COc1cccc2[nH]c(S(=O)(=O)N3Cc4ccc(Cl)cc4[C@H](C(=O)Nc4cncc5ccccc45)C3)cc12 |
MW: | 546.11 |
Fraction sp3: | 0.14 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 104.39 |
cLogP: | 5.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
VLA-UNK-5b0345c3-1
0.681
MAT-POS-24589f88-3
0.639
MAT-POS-dd3ad2b5-4
0.639
MAT-POS-24589f88-2
0.639
XIA-UNK-50bd045a-1
0.638
ALF-EVA-07677224-1
0.638
ALF-EVA-07677224-10
0.632
MAT-POS-4223bc15-30
0.629
MAT-POS-4223bc15-1
0.622
MAT-POS-4223bc15-3
0.622
MAT-POS-4223bc15-6
0.622
ALF-EVA-07677224-2
0.621
EDJ-MED-1981ceba-3
0.621
MAT-POS-4223bc15-31
0.619
ALF-EVA-07677224-5
0.619
PET-UNK-af70882d-4
0.617
MAT-POS-4223bc15-2
0.616
PET-UNK-d61f3ea6-2
0.616
MAT-POS-4223bc15-4
0.615
ALF-EVA-0e90125c-5
0.615
ALF-EVA-07677224-6
0.615
ALF-EVA-07677224-8
0.613
ALF-EVA-0e90125c-8
0.610
MAT-POS-4223bc15-29
0.609
PET-UNK-af70882d-3
0.603
MAT-POS-5cd9ea36-20
0.603
MAT-POS-4223bc15-5
0.600
MAT-POS-4223bc15-7
0.600
MAT-POS-4223bc15-15
0.600
MAT-POS-5cd9ea36-17
0.600
MAT-POS-5cd9ea36-2
0.600
MAT-POS-5cd9ea36-16
0.598
MAT-POS-4223bc15-13
0.596
BRU-THA-98e973b9-1
0.596
BRU-THA-d60fe444-1
0.596
MAT-POS-51135489-1
0.595
MAT-POS-af1eef35-2
0.595
EDJ-MED-e18764cb-3
0.595
MAT-POS-5cd9ea36-4
0.595
MAT-POS-4223bc15-19
0.595
RAL-THA-6e4c80cf-1
0.595
EDJ-MED-76744c27-7
0.592
EDJ-MED-76744c27-2
0.592
BEN-DND-32596b04-7
0.591
EDJ-MED-1981ceba-2
0.591
EDJ-MED-76744c27-5
0.590
MAT-POS-4223bc15-9
0.590
MAT-POS-61f37a1a-2
0.590
EDJ-MED-7f6e5b75-1
0.590
MAT-POS-5cd9ea36-3
0.590
MAT-POS-5cd9ea36-19
0.590
XIA-UNK-d96e3d51-1
0.589
MAT-POS-4223bc15-14
0.588
MAT-POS-bf364d7a-8
0.587
ALF-EVA-07677224-7
0.587
EDJ-MED-76744c27-4
0.587
MAT-POS-bf364d7a-7
0.587
PET-UNK-d61f3ea6-3
0.585
BEN-DND-32596b04-9
0.583
EDJ-MED-76744c27-3
0.581
PET-UNK-d61f3ea6-1
0.581
MAT-POS-5cd9ea36-24
0.581
BEN-DND-32596b04-2
0.580
MAT-POS-dc2604c4-4
0.580
BEN-DND-32596b04-8
0.580
EDJ-MED-1981ceba-5
0.580
EDJ-MED-76744c27-6
0.580
PET-UNK-de87a406-1
0.580
ALF-EVA-0e90125c-3
0.579
MAT-POS-5cd9ea36-22
0.577
MAT-POS-dc2604c4-2
0.577
MAT-POS-4223bc15-11
0.575
MAT-POS-dd1fff26-1
0.575
ANN-CHE-e1757302-2
0.575
BEN-DND-32596b04-1
0.575
BEN-DND-32596b04-5
0.575
MAT-POS-4223bc15-8
0.575
ALF-EVA-0e90125c-4
0.575
MAT-POS-dd1fff26-2
0.575
EDJ-MED-4fff0a85-2
0.575
MAT-POS-5cd9ea36-10
0.575
RAL-THA-ee48ba5f-5
0.574
ALF-EVA-07677224-9
0.574
PET-UNK-615ad708-5
0.571
PET-UNK-af70882d-2
0.571
EDJ-MED-1981ceba-4
0.571
ALF-EVA-07677224-3
0.571
PET-UNK-ff046148-1
0.571
PET-UNK-615ad708-2
0.571
PET-UNK-94036022-1
0.570
MAT-POS-bf364d7a-6
0.570
XIA-UNK-284f966f-1
0.570
ANN-CHE-e1757302-5
0.570
BEN-DND-32596b04-3
0.570
MAT-POS-bf364d7a-5
0.570
ALF-EVA-07677224-4
0.570
PET-UNK-af70882d-1
0.570
MAT-POS-5cd9ea36-1
0.570
PET-UNK-94036022-8
0.570
EDJ-MED-76744c27-1
0.570