Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)ccc1CNS(=O)(=O)N1CCC1)Nc1cncc2ccccc12 |
MW: | 444.1 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 91.4 |
cLogP: | 3.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
ALP-POS-d054b76b-5
0.758
ALP-POS-6479a3a9-2
0.747
ALP-POS-d7944b10-17
0.708
ALP-POS-d7944b10-7
0.697
ALP-POS-d7944b10-14
0.696
ALP-POS-d7944b10-15
0.696
ALP-POS-d7944b10-18
0.691
BEN-DND-d1eb1f41-4
0.687
ALP-POS-d7944b10-5
0.670
ALP-POS-d7944b10-6
0.667
ALP-POS-d7944b10-3
0.663
ALP-POS-6479a3a9-1
0.663
MIC-UNK-06e5f114-3
0.657
ALP-POS-d7944b10-2
0.652
MIC-UNK-06e5f114-4
0.649
ALP-POS-d7944b10-13
0.646
ALP-POS-d7944b10-4
0.643
MIC-UNK-06e5f114-1
0.634
ALP-POS-df536be7-6
0.633
ALP-POS-d7944b10-8
0.621
BEN-DND-d1eb1f41-6
0.621
ALP-POS-d7944b10-9
0.618
ALP-POS-d7944b10-11
0.612
MIC-UNK-06e5f114-2
0.602
ALP-POS-d7944b10-10
0.598
PET-UNK-dd44aeb6-1
0.570
PET-UNK-dd44aeb6-2
0.570
RAL-THA-2d450e86-24
0.570
RAL-THA-2d450e86-27
0.570
RAL-THA-2d450e86-25
0.570
ALP-POS-df536be7-5
0.560
ALP-POS-bb8a3193-6
0.558
RAL-THA-2d450e86-29
0.556
MAT-POS-bbbbc21a-1
0.556
MAT-POS-3b92565d-1
0.556
MIC-UNK-df9dcda8-1
0.554
MIC-UNK-df9dcda8-3
0.544
RAL-THA-2d450e86-28
0.538
PET-UNK-dd44aeb6-3
0.538
MIC-UNK-37660950-3
0.538
MIC-UNK-df9dcda8-2
0.537
MIC-UNK-df9dcda8-4
0.527
MIC-UNK-37660950-4
0.524
ALP-POS-d7944b10-1
0.515
ALP-POS-6479a3a9-3
0.515
ALP-POS-d7944b10-16
0.515
RAL-THA-2d450e86-30
0.512
RAL-THA-2d450e86-26
0.506
ALP-POS-bb8a3193-7
0.505
RAL-THA-2d450e86-2
0.500
RAL-THA-2d450e86-36
0.500
MIC-UNK-37660950-2
0.500
RAL-THA-1d44ff04-9
0.500
ADA-UCB-6c2cb422-1
0.500
MIC-UNK-e7433122-1
0.500
RAL-THA-2d450e86-33
0.500
MAT-POS-fce787c2-2
0.494
MAT-POS-bbbbc21a-3
0.490
LON-WEI-9739a092-9
0.485
NAU-LAT-30527ac5-1
0.485
NAU-LAT-2fed8305-9
0.483
RAL-THA-2d450e86-37
0.483
MAK-UNK-919546f0-4
0.482
MIC-UNK-37660950-1
0.481
RAL-THA-2d450e86-6
0.478
PET-UNK-3c72d439-1
0.478
RAL-THA-2d450e86-34
0.478
RAL-THA-2d450e86-39
0.478
MAT-POS-afd4d4fd-2
0.478
MAT-POS-afd4d4fd-3
0.478
ALP-POS-6479a3a9-4
0.477
ALP-POS-d054b76b-6
0.477
MIC-UNK-16ccb665-3
0.474
RAL-THA-2d450e86-23
0.473
NAU-LAT-2fed8305-5
0.473
EDJ-MED-50011917-3
0.471
RAL-THA-2d450e86-1
0.471
MAT-POS-281d2ee9-1
0.469
RAL-THA-1d44ff04-11
0.469
RAL-THA-1d44ff04-10
0.469
RAL-THA-1d44ff04-13
0.469
RAL-THA-2d450e86-22
0.468
RAL-THA-2d450e86-21
0.468
RAL-THA-2d450e86-19
0.467
RAL-THA-2d450e86-20
0.467
MAT-POS-afd4d4fd-1
0.467
MAT-POS-23a8a11a-1
0.467
RAL-THA-2d450e86-38
0.466
MIC-UNK-e8d6fb58-4
0.464
MIC-UNK-e8d6fb58-3
0.464
RAL-THA-2d450e86-18
0.463
ALP-POS-3b848b35-1
0.463
MAT-POS-3b92565d-2
0.463
RAL-THA-2d450e86-9
0.462
RAL-THA-2d450e86-15
0.462
RAL-THA-2d450e86-8
0.462
RAL-THA-2d450e86-14
0.462
RAL-THA-2d450e86-40
0.462
VLA-UNK-b9c208fe-2
0.462
PET-UNK-c5865d42-1
0.460