Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1 |
MW: | 426.08 |
Fraction sp3: | 0.15 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 85.16 |
cLogP: | 3.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-d2866bdf-1
0.775
PET-UNK-b75fdf9f-1
0.772
RAL-THA-4a5dabff-1
0.756
ALP-POS-c59291d4-4
0.756
ALP-POS-bad7201a-5
0.747
RUT-UNI-630c5802-26
0.729
ALP-POS-c0c213c9-6
0.729
RUT-UNI-630c5802-24
0.729
ALP-POS-c59291d4-1
0.726
RUT-UNI-630c5802-27
0.713
ROB-IMP-e811baff-1
0.705
ALP-POS-c59291d4-2
0.697
RAL-THA-4a5dabff-2
0.678
ALP-POS-6d04362c-3
0.678
ALP-POS-6d04362c-4
0.678
RAL-THA-4a5dabff-3
0.671
ALP-POS-c59291d4-3
0.656
RUT-UNI-630c5802-1
0.649
RAL-THA-4a5dabff-8
0.628
MAT-POS-ffe83904-1
0.626
RUT-UNI-630c5802-25
0.610
PET-UNK-b75fdf9f-2
0.607
RUT-UNI-630c5802-17
0.560
ALP-POS-6d04362c-1
0.557
RUT-UNI-630c5802-21
0.548
RUT-UNI-630c5802-20
0.548
RUT-UNI-630c5802-18
0.543
RUT-UNI-630c5802-19
0.538
RUT-UNI-630c5802-22
0.537
DAR-DIA-093892e4-7
0.533
CHO-MSK-00c5269a-1
0.532
ALP-POS-6d04362c-2
0.532
CHO-MSK-00c5269a-3
0.532
ALP-POS-bad7201a-15
0.532
MAD-UNK-b1ea4171-1
0.531
MAD-UNK-84a4f939-1
0.531
HOL-KAN-828c7b64-1
0.529
ALP-POS-87c86d55-1
0.527
OLG-UNK-911c2067-1
0.521
CHO-MSK-00c5269a-2
0.515
DAR-DIA-093892e4-5
0.515
ALP-POS-bad7201a-14
0.510
DAR-DIA-093892e4-1
0.510
DAR-DIA-093892e4-2
0.505
DAR-DIA-093892e4-11
0.500
DAR-DIA-093892e4-8
0.500
DAR-DIA-093892e4-4
0.495
DAR-DIA-093892e4-9
0.495
RUT-UNI-630c5802-23
0.495
PET-UNK-7374c256-2
0.495
PET-UNK-1901c25b-3
0.495
DAR-DIA-093892e4-12
0.490
ALP-POS-6d04362c-5
0.490
DAR-DIA-093892e4-3
0.485
DAR-DIA-093892e4-6
0.485
ALP-POS-7c842ab8-1
0.480
ALP-POS-87c86d55-2
0.480
RAL-THA-4a5dabff-5
0.480
ALP-POS-8ed8d9ec-7
0.479
PET-UNK-7374c256-1
0.479
PET-UNK-b75fdf9f-3
0.473
RUT-UNI-630c5802-5
0.472
DAR-DIA-093892e4-10
0.471
CHO-MSK-00c5269a-4
0.471
CHO-MSK-00c5269a-5
0.471
ALP-POS-75715966-5
0.470
RUT-UNI-630c5802-9
0.463
ALP-POS-75715966-1
0.442
ALP-POS-c0c213c9-18
0.441
ALP-POS-bad7201a-9
0.440
RAL-THA-4a5dabff-4
0.438
ALP-POS-c0c213c9-15
0.436
MAR-LAB-ca4662a6-7
0.430
EDJ-MED-06d94977-2
0.426
EDJ-MED-06d94977-1
0.417
RAL-THA-4a5dabff-7
0.417
UNK-UNK-2ede4078-81
0.408
UNK-UNK-2ede4078-94
0.406
UNK-UNK-2ede4078-29
0.405
RUT-UNI-630c5802-13
0.402
MAT-POS-06036648-1
0.400
AAR-POS-8a4e0f60-1
0.400
ALP-POS-c0c213c9-3
0.398
RAL-THA-d07c7800-1
0.398
RAL-THA-4a5dabff-6
0.398
ALP-POS-c0c213c9-5
0.396
AAR-POS-8a4e0f60-8
0.393
MAT-POS-06036648-5
0.392
WIL-UNI-2e73223c-2
0.391
VLA-UCB-34f3ed0c-2
0.390
ALP-POS-c0c213c9-11
0.385
ALP-POS-c0c213c9-12
0.383
RAL-THA-d07c7800-3
0.382
RAL-THA-d07c7800-2
0.382
HOL-KAN-47917554-1
0.381
UNK-UNK-2ede4078-8
0.378
AAR-POS-8a4e0f60-7
0.377
NAU-LAT-3f5f3993-4
0.376
ALP-POS-c0c213c9-13
0.372
RAL-THA-d07c7800-4
0.369