Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)ccc1CNS(=O)(=O)NC1CCC1)Nc1cncc2ccccc12 |
MW: | 458.12 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 8 |
TPSA: | 100.19 |
cLogP: | 3.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
ALP-POS-d7944b10-17
0.714
ALP-POS-6479a3a9-2
0.713
ALP-POS-d7944b10-12
0.696
ALP-POS-d7944b10-15
0.684
ALP-POS-d054b76b-5
0.673
ALP-POS-d7944b10-7
0.667
BEN-DND-d1eb1f41-4
0.655
ALP-POS-6479a3a9-1
0.653
ALP-POS-d7944b10-3
0.653
MIC-UNK-06e5f114-3
0.647
ALP-POS-d7944b10-5
0.643
MIC-UNK-06e5f114-4
0.640
ALP-POS-d7944b10-6
0.639
ALP-POS-d7944b10-18
0.630
ALP-POS-d7944b10-8
0.629
ALP-POS-d7944b10-13
0.620
ALP-POS-d7944b10-4
0.618
BEN-DND-d1eb1f41-6
0.611
MIC-UNK-06e5f114-1
0.608
ALP-POS-df536be7-6
0.606
ALP-POS-d7944b10-2
0.606
ALP-POS-d7944b10-9
0.594
ALP-POS-d7944b10-11
0.589
MIC-UNK-06e5f114-2
0.578
ALP-POS-d7944b10-10
0.559
ALP-POS-bb8a3193-6
0.551
MAT-POS-bbbbc21a-1
0.548
RAL-THA-2d450e86-29
0.548
MAT-POS-3b92565d-1
0.548
MIC-UNK-df9dcda8-1
0.547
RAL-THA-2d450e86-27
0.544
PET-UNK-dd44aeb6-2
0.544
RAL-THA-2d450e86-24
0.544
PET-UNK-dd44aeb6-1
0.544
RAL-THA-2d450e86-25
0.544
ALP-POS-df536be7-5
0.537
MIC-UNK-df9dcda8-3
0.521
RAL-THA-2d450e86-28
0.516
PET-UNK-dd44aeb6-3
0.516
MIC-UNK-df9dcda8-2
0.515
RAL-THA-2d450e86-33
0.511
MIC-UNK-df9dcda8-4
0.505
MIC-UNK-37660950-4
0.505
MIC-UNK-37660950-3
0.505
ALP-POS-bb8a3193-7
0.500
EDJ-MED-50011917-3
0.495
PET-UNK-3c72d439-1
0.489
RAL-THA-2d450e86-30
0.489
MIC-UNK-e7433122-1
0.481
MIC-UNK-37660950-2
0.481
ALP-POS-d7944b10-16
0.481
ALP-POS-6479a3a9-3
0.480
ALP-POS-d7944b10-1
0.480
RAL-THA-1d44ff04-9
0.480
ADA-UCB-6c2cb422-1
0.478
RAL-THA-2d450e86-36
0.478
RAL-THA-2d450e86-2
0.478
RAL-THA-2d450e86-6
0.474
ALP-POS-6479a3a9-4
0.474
MAT-POS-afd4d4fd-2
0.473
MAT-POS-fce787c2-2
0.473
PET-UNK-c5865d42-1
0.471
RAL-THA-2d450e86-26
0.468
RAL-THA-2d450e86-23
0.468
MAT-POS-281d2ee9-1
0.465
RAL-THA-2d450e86-21
0.464
MIC-UNK-37660950-1
0.464
RAL-THA-2d450e86-19
0.463
NAU-LAT-2fed8305-9
0.462
RAL-THA-2d450e86-37
0.462
MAK-UNK-919546f0-4
0.461
MIC-UNK-e8d6fb58-3
0.460
MIC-UNK-e8d6fb58-4
0.460
RAL-THA-2d450e86-34
0.457
MAT-POS-afd4d4fd-3
0.457
MAT-POS-bbbbc21a-3
0.456
MAT-POS-fce787c2-1
0.455
MIC-UNK-16ccb665-3
0.455
NAU-LAT-2fed8305-5
0.453
RAL-THA-1d44ff04-11
0.451
NAU-LAT-30527ac5-1
0.451
RAL-THA-1d44ff04-10
0.450
EDJ-MED-50011917-2
0.450
RAL-THA-2d450e86-22
0.449
MAT-POS-afd4d4fd-1
0.448
RAL-THA-2d450e86-20
0.448
EDJ-MED-50011917-1
0.448
DAR-DIA-0587064e-3
0.448
MAT-POS-23a8a11a-1
0.447
RAL-THA-2d450e86-38
0.446
ALP-POS-3b848b35-1
0.444
MAT-POS-3b92565d-2
0.444
RAL-THA-2d450e86-18
0.444
RAL-THA-2d450e86-15
0.443
RAL-THA-2d450e86-14
0.443
RAL-THA-2d450e86-9
0.443
DAR-DIA-0587064e-2
0.442
VLA-UNK-b9c208fe-2
0.442
RAL-THA-2d450e86-40
0.442
RAL-THA-2d450e86-39
0.442