Molecular Properties | |
SMILES: | CN(C1CC1)S(=O)(=O)NCc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12 |
MW: | 458.12 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 91.4 |
cLogP: | 3.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
ALP-POS-d7944b10-7
0.782
ALP-POS-6479a3a9-2
0.753
ALP-POS-d7944b10-6
0.747
ALP-POS-d7944b10-17
0.696
ALP-POS-d7944b10-12
0.696
ALP-POS-d7944b10-14
0.684
ALP-POS-df536be7-6
0.678
BEN-DND-d1eb1f41-4
0.674
BEN-DND-d1eb1f41-6
0.667
ALP-POS-d7944b10-5
0.660
ALP-POS-d054b76b-5
0.657
ALP-POS-d7944b10-18
0.646
MIC-UNK-06e5f114-1
0.642
MIC-UNK-06e5f114-4
0.640
ALP-POS-6479a3a9-1
0.636
ALP-POS-d7944b10-13
0.636
ALP-POS-d7944b10-3
0.636
ALP-POS-d7944b10-4
0.634
ALP-POS-d7944b10-2
0.624
MIC-UNK-06e5f114-3
0.615
ALP-POS-d7944b10-8
0.612
MIC-UNK-06e5f114-2
0.610
ALP-POS-d7944b10-9
0.594
ALP-POS-d7944b10-11
0.589
ALP-POS-bb8a3193-6
0.581
MIC-UNK-df9dcda8-2
0.579
ALP-POS-d7944b10-10
0.574
ALP-POS-df536be7-5
0.570
MIC-UNK-df9dcda8-1
0.564
RAL-THA-2d450e86-24
0.562
PET-UNK-dd44aeb6-2
0.562
RAL-THA-2d450e86-27
0.562
RAL-THA-2d450e86-29
0.548
MAT-POS-3b92565d-1
0.548
MAT-POS-bbbbc21a-1
0.548
RAL-THA-2d450e86-25
0.544
PET-UNK-dd44aeb6-1
0.544
MIC-UNK-df9dcda8-3
0.538
MIC-UNK-37660950-4
0.533
MIC-UNK-df9dcda8-4
0.521
RAL-THA-2d450e86-28
0.516
PET-UNK-dd44aeb6-3
0.516
RAL-THA-1d44ff04-9
0.510
ALP-POS-d7944b10-1
0.510
ALP-POS-6479a3a9-3
0.510
ALP-POS-d7944b10-16
0.510
MIC-UNK-37660950-2
0.510
MIC-UNK-e7433122-1
0.509
MIC-UNK-37660950-3
0.505
EDJ-MED-50011917-3
0.495
RAL-THA-2d450e86-33
0.495
MIC-UNK-37660950-1
0.491
RAL-THA-2d450e86-30
0.489
ALP-POS-6479a3a9-4
0.487
MIC-UNK-e8d6fb58-3
0.486
MIC-UNK-e8d6fb58-4
0.486
ALP-POS-bb8a3193-7
0.486
MAT-POS-281d2ee9-1
0.480
RAL-THA-1d44ff04-11
0.480
RAL-THA-2d450e86-22
0.479
ADA-UCB-6c2cb422-1
0.478
RAL-THA-2d450e86-36
0.478
RAL-THA-2d450e86-2
0.478
ALP-POS-3b848b35-1
0.474
MAT-POS-3b92565d-2
0.474
RAL-THA-2d450e86-18
0.474
MAT-POS-fce787c2-2
0.473
PET-UNK-c5865d42-1
0.471
MAT-POS-fce787c2-1
0.469
RAL-THA-2d450e86-26
0.468
ALP-POS-df536be7-1
0.466
NAU-LAT-30527ac5-1
0.465
MAT-POS-afd4d4fd-1
0.463
RAL-THA-2d450e86-20
0.463
EDJ-MED-50011917-2
0.463
NAU-LAT-2fed8305-9
0.462
RAL-THA-2d450e86-37
0.462
RAL-THA-2d450e86-38
0.462
ALP-POS-df536be7-3
0.461
MAK-UNK-919546f0-4
0.461
RAL-THA-2d450e86-6
0.458
RAL-THA-2d450e86-15
0.458
MAK-UNK-c749d764-11
0.458
PET-UNK-3c72d439-1
0.458
RAL-THA-2d450e86-39
0.457
RAL-THA-2d450e86-34
0.457
MAT-POS-afd4d4fd-2
0.457
MAT-POS-afd4d4fd-3
0.457
DAR-DIA-0587064e-2
0.456
MAT-POS-bbbbc21a-3
0.456
MIC-UNK-16ccb665-3
0.455
ALP-POS-f13221e1-2
0.454
PET-UNK-bb7ffe78-1
0.454
NAU-LAT-2fed8305-5
0.453
RAL-THA-2d450e86-23
0.453
RAL-THA-1d44ff04-6
0.451
RAL-THA-1d44ff04-10
0.450
RAL-THA-2d450e86-21
0.449
RAL-THA-2d450e86-19
0.448
DAR-DIA-0587064e-3
0.448