Molecular Properties | |
SMILES: | CS(=O)(=O)N1CCC(NCc2ccc(Cl)cc2CC(=O)Nc2cncc3ccccc23)C1 |
MW: | 472.13 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 91.4 |
cLogP: | 3.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
LON-WEI-9739a092-9
MIC-UNK-06e5f114-3
0.849
ALP-POS-6479a3a9-2
0.663
ALP-POS-d7944b10-12
0.649
BEN-DND-d1eb1f41-4
0.644
ALP-POS-d7944b10-14
0.640
ALP-POS-d7944b10-15
0.640
MIC-UNK-06e5f114-1
0.633
ALP-POS-d7944b10-8
0.620
ALP-POS-d7944b10-17
0.616
MIC-UNK-37660950-4
0.615
ALP-POS-d054b76b-5
0.615
ALP-POS-d7944b10-2
0.615
ALP-POS-df536be7-6
0.615
ALP-POS-d7944b10-7
0.606
BEN-DND-d1eb1f41-6
0.602
MIC-UNK-06e5f114-2
0.602
ALP-POS-d7944b10-5
0.587
MIC-UNK-37660950-3
0.583
ALP-POS-d7944b10-10
0.583
ALP-POS-d7944b10-6
0.583
ALP-POS-d7944b10-18
0.575
ALP-POS-6479a3a9-1
0.566
ALP-POS-d7944b10-3
0.566
ALP-POS-d7944b10-13
0.566
ALP-POS-d7944b10-4
0.565
MIC-UNK-df9dcda8-1
0.541
RAL-THA-2d450e86-27
0.538
ALP-POS-bb8a3193-6
0.532
ALP-POS-d7944b10-9
0.531
ALP-POS-df536be7-5
0.531
ALP-POS-d7944b10-11
0.526
MAT-POS-bbbbc21a-1
0.526
MAT-POS-3b92565d-1
0.526
RAL-THA-2d450e86-29
0.526
MIC-UNK-df9dcda8-2
0.525
PET-UNK-dd44aeb6-1
0.521
RAL-THA-2d450e86-24
0.521
RAL-THA-2d450e86-25
0.521
PET-UNK-dd44aeb6-2
0.521
MIC-UNK-df9dcda8-3
0.515
MIC-UNK-df9dcda8-4
0.500
PET-UNK-dd44aeb6-3
0.495
RAL-THA-2d450e86-28
0.495
MIC-UNK-37660950-2
0.491
MIC-UNK-e7433122-1
0.477
EDJ-MED-50011917-3
0.477
ALP-POS-d7944b10-16
0.477
ALP-POS-6479a3a9-3
0.476
ALP-POS-d7944b10-1
0.476
ADA-UCB-6c2cb422-1
0.474
MIC-UNK-37660950-1
0.473
MIC-UNK-e8d6fb58-4
0.470
RAL-THA-2d450e86-30
0.468
LON-WEI-9739a092-9
0.464
RAL-THA-1d44ff04-9
0.462
RAL-THA-2d450e86-20
0.459
MAT-POS-afd4d4fd-1
0.459
RAL-THA-2d450e86-33
0.458
RAL-THA-2d450e86-2
0.457
RAL-THA-2d450e86-36
0.457
MIC-UNK-e8d6fb58-3
0.457
ALP-POS-bb8a3193-7
0.455
PET-UNK-3c72d439-1
0.455
RAL-THA-2d450e86-8
0.455
RAL-THA-2d450e86-6
0.455
MAT-POS-afd4d4fd-2
0.454
MAT-POS-fce787c2-2
0.453
DAR-DIA-0f2f46c9-4
0.450
DAR-DIA-0f2f46c9-6
0.450
DAR-DIA-0f2f46c9-5
0.450
RAL-THA-2d450e86-26
0.449
RAL-THA-1d44ff04-11
0.448
MAT-POS-281d2ee9-1
0.448
NAU-LAT-30527ac5-1
0.448
EDJ-MED-50011917-2
0.446
RAL-THA-2d450e86-22
0.446
MAT-POS-24589f88-3
0.445
MAT-POS-dd3ad2b5-4
0.445
MAT-POS-24589f88-2
0.445
NAU-LAT-2fed8305-9
0.443
MAT-POS-23a8a11a-1
0.443
RAL-THA-2d450e86-38
0.442
RAL-THA-2d450e86-37
0.442
RAL-THA-2d450e86-18
0.441
MAT-POS-3b92565d-2
0.441
ALP-POS-3b848b35-1
0.441
MAK-UNK-919546f0-4
0.441
ALP-POS-d054b76b-1
0.440
RAL-THA-2d450e86-9
0.440
RAL-THA-2d450e86-15
0.440
PET-UNK-c5865d42-1
0.439
MAT-POS-bbbbc21a-3
0.439
MAT-POS-afd4d4fd-3
0.439
RAL-THA-2d450e86-34
0.439
RAL-THA-2d450e86-13
0.439
RAL-THA-2d450e86-39
0.439
DAR-DIA-0cde14eb-46
0.437
MIC-UNK-16ccb665-3
0.437
KAD-UNI-8a629cb0-1
0.436
PET-UNK-bb7ffe78-1
0.436