Molecular Properties | |
SMILES: | CS(=O)(=O)N1CCC(CNc2ccc(Cl)cc2CC(=O)Nc2cncc3ccccc23)C1 |
MW: | 472.13 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 91.4 |
cLogP: | 3.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MIC-UNK-06e5f114-2
MIC-UNK-37660950-3
0.859
MIC-UNK-37660950-2
0.626
MIC-UNK-df9dcda8-1
0.624
MIC-UNK-06e5f114-4
0.615
MIC-UNK-37660950-1
0.602
MIC-UNK-df9dcda8-3
0.581
MIC-UNK-df9dcda8-4
0.579
MIC-UNK-06e5f114-3
0.578
MIC-UNK-e7433122-1
0.547
MIC-UNK-df9dcda8-2
0.540
RAL-THA-2d450e86-27
0.538
RAL-THA-2d450e86-24
0.538
PET-UNK-dd44aeb6-2
0.538
BEN-DND-d1eb1f41-6
0.536
ALP-POS-d7944b10-15
0.533
ALP-POS-6479a3a9-2
0.530
ALP-POS-d7944b10-12
0.524
PET-UNK-dd44aeb6-1
0.521
RAL-THA-2d450e86-25
0.521
ALP-POS-df536be7-6
0.520
MAT-POS-3b92565d-1
0.510
MAT-POS-bbbbc21a-1
0.510
RAL-THA-2d450e86-29
0.510
BEN-DND-d1eb1f41-4
0.510
MIC-UNK-06e5f114-1
0.509
ALP-POS-d7944b10-14
0.505
ALP-POS-d054b76b-5
0.500
ALP-POS-d7944b10-7
0.500
ALP-POS-d7944b10-17
0.495
PET-UNK-dd44aeb6-3
0.495
RAL-THA-2d450e86-28
0.495
LON-WEI-9739a092-9
0.491
ALP-POS-d7944b10-2
0.490
MIC-UNK-06e5f114-2
0.486
ALP-POS-d7944b10-8
0.486
ALP-POS-df536be7-5
0.485
MIC-UNK-e8d6fb58-4
0.482
ALP-POS-d7944b10-13
0.482
ALP-POS-d7944b10-6
0.482
ALP-POS-d7944b10-18
0.478
ALP-POS-d7944b10-1
0.476
ALP-POS-6479a3a9-3
0.476
RAL-THA-1d44ff04-9
0.476
ALP-POS-d7944b10-5
0.473
MIC-UNK-e8d6fb58-3
0.470
EDJ-MED-50011917-3
0.464
ALP-POS-d7944b10-16
0.463
ADA-UCB-6c2cb422-1
0.458
KAD-UNI-8a629cb0-1
0.458
RAL-THA-2d450e86-2
0.457
RAL-THA-2d450e86-36
0.457
ALP-POS-d7944b10-4
0.457
ALP-POS-d7944b10-3
0.456
ALP-POS-6479a3a9-1
0.456
ALP-POS-d7944b10-10
0.455
RAL-THA-2d450e86-15
0.455
PET-UNK-3c72d439-1
0.455
RAL-THA-2d450e86-34
0.454
ALP-POS-bb8a3193-6
0.453
MAT-POS-fce787c2-2
0.453
RAL-THA-2d450e86-30
0.453
RAL-THA-2d450e86-26
0.449
ALP-POS-df536be7-1
0.449
RAL-THA-1d44ff04-11
0.448
EDJ-MED-50011917-2
0.446
MAT-POS-24589f88-2
0.445
MAT-POS-dd3ad2b5-4
0.445
MAT-POS-24589f88-3
0.445
MAT-POS-afd4d4fd-1
0.444
RAL-THA-2d450e86-20
0.444
NAU-LAT-2fed8305-9
0.443
RAL-THA-2d450e86-33
0.443
PET-UNK-8c422e11-1
0.442
RAL-THA-2d450e86-38
0.442
RAL-THA-2d450e86-37
0.442
ALP-POS-d7944b10-9
0.442
MAK-UNK-919546f0-4
0.441
ALP-POS-d054b76b-1
0.440
RAL-THA-2d450e86-6
0.440
RAL-THA-2d450e86-8
0.440
MAT-POS-bbbbc21a-3
0.439
RAL-THA-2d450e86-39
0.439
MAT-POS-afd4d4fd-3
0.439
DAR-DIA-0f2f46c9-5
0.436
DAR-DIA-0f2f46c9-4
0.436
DAR-DIA-0f2f46c9-6
0.436
VLA-UNK-9a7dc93f-1
0.436
PET-UNK-bb7ffe78-1
0.436
NAU-LAT-2fed8305-5
0.434
MAT-POS-281d2ee9-1
0.434
NAU-LAT-30527ac5-1
0.434
RAL-THA-1d44ff04-10
0.433
RAL-THA-2d450e86-22
0.431
DAR-DIA-0587064e-3
0.431
RAL-THA-2d450e86-19
0.430
MAT-POS-23a8a11a-1
0.429
RAL-THA-1d44ff04-3
0.429
RAL-THA-2d450e86-18
0.427
ALP-POS-3b848b35-1
0.427
MAT-POS-3b92565d-2
0.427