Molecular Properties | |
SMILES: | CS(=O)(=O)N1CCCC(NCc2ccc(Cl)cc2CC(=O)Nc2cncc3ccccc23)C1 |
MW: | 486.15 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 91.4 |
cLogP: | 3.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
LON-WEI-9739a092-9
MIC-UNK-06e5f114-4
0.849
ALP-POS-d7944b10-12
0.657
ALP-POS-d7944b10-14
0.647
ALP-POS-6479a3a9-2
0.635
MIC-UNK-37660950-3
0.620
BEN-DND-d1eb1f41-4
0.617
ALP-POS-d7944b10-15
0.615
MIC-UNK-06e5f114-1
0.608
ALP-POS-d7944b10-8
0.596
ALP-POS-d054b76b-5
0.593
ALP-POS-d7944b10-17
0.592
ALP-POS-d7944b10-2
0.590
ALP-POS-df536be7-6
0.590
ALP-POS-d7944b10-7
0.583
MIC-UNK-06e5f114-2
0.579
MIC-UNK-37660950-4
0.578
BEN-DND-d1eb1f41-6
0.577
ALP-POS-d7944b10-18
0.569
ALP-POS-d7944b10-5
0.565
ALP-POS-d7944b10-6
0.561
ALP-POS-d7944b10-10
0.561
ALP-POS-d7944b10-3
0.545
ALP-POS-6479a3a9-1
0.545
ALP-POS-d7944b10-13
0.545
ALP-POS-d7944b10-4
0.545
ALP-POS-d7944b10-11
0.521
MIC-UNK-df9dcda8-1
0.520
RAL-THA-2d450e86-27
0.515
ALP-POS-bb8a3193-6
0.513
ALP-POS-d7944b10-9
0.513
ALP-POS-df536be7-5
0.510
RAL-THA-2d450e86-29
0.505
MAT-POS-3b92565d-1
0.505
MAT-POS-bbbbc21a-1
0.505
MIC-UNK-df9dcda8-2
0.505
RAL-THA-2d450e86-24
0.500
PET-UNK-dd44aeb6-1
0.500
RAL-THA-2d450e86-25
0.500
PET-UNK-dd44aeb6-2
0.500
MIC-UNK-df9dcda8-3
0.495
MIC-UNK-df9dcda8-4
0.481
PET-UNK-dd44aeb6-3
0.476
RAL-THA-2d450e86-28
0.476
MIC-UNK-e7433122-1
0.474
MIC-UNK-37660950-2
0.473
ALP-POS-6479a3a9-3
0.472
ALP-POS-d7944b10-1
0.472
EDJ-MED-50011917-3
0.460
ALP-POS-d7944b10-16
0.459
MIC-UNK-37660950-1
0.457
ADA-UCB-6c2cb422-1
0.455
RAL-THA-2d450e86-33
0.455
MIC-UNK-e8d6fb58-3
0.454
PET-UNK-3c72d439-1
0.451
RAL-THA-2d450e86-30
0.449
LON-WEI-9739a092-9
0.447
RAL-THA-1d44ff04-9
0.444
MIC-UNK-e8d6fb58-4
0.442
MAT-POS-afd4d4fd-1
0.441
RAL-THA-2d450e86-20
0.441
ALP-POS-bb8a3193-7
0.440
RAL-THA-2d450e86-2
0.439
RAL-THA-2d450e86-36
0.439
RAL-THA-2d450e86-8
0.437
RAL-THA-2d450e86-6
0.437
MAT-POS-bbbbc21a-3
0.436
MAT-POS-afd4d4fd-2
0.436
MAT-POS-fce787c2-2
0.434
DAR-DIA-0f2f46c9-5
0.434
DAR-DIA-0f2f46c9-4
0.434
DAR-DIA-0f2f46c9-6
0.434
RAL-THA-2d450e86-26
0.431
RAL-THA-1d44ff04-11
0.431
MAT-POS-281d2ee9-1
0.431
NAU-LAT-30527ac5-1
0.431
EDJ-MED-50011917-2
0.431
MAT-POS-24589f88-2
0.430
MAT-POS-24589f88-3
0.430
MAT-POS-dd3ad2b5-4
0.430
RAL-THA-2d450e86-22
0.429
RAL-THA-2d450e86-21
0.429
MAT-POS-23a8a11a-1
0.426
NAU-LAT-2fed8305-9
0.426
ALP-POS-d054b76b-1
0.425
MAT-POS-3b92565d-2
0.425
ALP-POS-3b848b35-1
0.425
RAL-THA-2d450e86-18
0.425
RAL-THA-2d450e86-38
0.424
RAL-THA-2d450e86-37
0.424
PET-UNK-c5865d42-1
0.423
DAR-DIA-0587064e-2
0.423
RAL-THA-2d450e86-9
0.423
RAL-THA-2d450e86-15
0.423
MAK-UNK-919546f0-4
0.423
MAT-POS-afd4d4fd-3
0.422
RAL-THA-2d450e86-13
0.422
RAL-THA-2d450e86-34
0.422
RAL-THA-2d450e86-39
0.422
MAT-POS-fce787c2-1
0.421
MIC-UNK-16ccb665-3
0.421