Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(CC(=O)Nc3cncc4ccccc34)cc(Cl)cc12 |
MW: | 420.14 |
Fraction sp3: | 0.17 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 86.88 |
cLogP: | 4.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
NAU-LAT-0543f7f2-3
0.638
NAU-LAT-30527ac5-5
0.638
NAU-LAT-30527ac5-6
0.622
NAU-LAT-30527ac5-1
0.558
RAL-THA-2d450e86-27
0.527
RAL-THA-1d44ff04-3
0.521
PET-UNK-b87f07d0-1
0.515
ALP-POS-d7944b10-16
0.495
ALP-POS-6479a3a9-3
0.495
ALP-POS-d7944b10-1
0.495
RAL-THA-2d450e86-24
0.495
PET-UNK-dd44aeb6-2
0.495
RAL-THA-2d450e86-25
0.495
PET-UNK-dd44aeb6-1
0.495
RAL-THA-2d450e86-36
0.494
NAU-LAT-0543f7f2-9
0.490
NAU-LAT-0543f7f2-4
0.490
MAT-POS-fce787c2-2
0.489
RAL-THA-2d450e86-30
0.489
MIC-UNK-df9dcda8-1
0.485
RAL-THA-2d450e86-29
0.485
MAT-POS-bbbbc21a-1
0.485
MAT-POS-3b92565d-1
0.485
BEN-DND-d1eb1f41-4
0.485
NAU-LAT-2fed8305-5
0.484
PET-SGC-1c3a473d-1
0.481
BEN-DND-d1eb1f41-6
0.480
MAT-POS-afd4d4fd-1
0.479
RAL-THA-2d450e86-20
0.479
RAL-THA-2d450e86-19
0.479
NAU-LAT-2fed8305-9
0.478
ADA-UCB-6c2cb422-1
0.478
RAL-THA-2d450e86-38
0.478
MIC-UNK-df9dcda8-4
0.475
MIC-UNK-df9dcda8-3
0.474
RAL-THA-2d450e86-14
0.474
RAL-THA-2d450e86-15
0.474
MAT-POS-afd4d4fd-3
0.473
RAL-THA-2d450e86-34
0.473
PET-UNK-b87f07d0-2
0.471
RAL-THA-2d450e86-28
0.469
PET-UNK-bb7ffe78-3
0.469
PET-UNK-dd44aeb6-3
0.469
PET-UNK-bb7ffe78-1
0.469
RAL-THA-2d450e86-26
0.468
EDJ-MED-50011917-3
0.467
ALP-POS-df536be7-6
0.466
MAT-POS-281d2ee9-1
0.465
RAL-THA-1d44ff04-6
0.465
RAL-THA-2d450e86-22
0.464
EDJ-MED-50011917-2
0.463
RAL-THA-2d450e86-37
0.462
RAL-THA-2d450e86-2
0.462
ALP-POS-6479a3a9-2
0.461
MAK-UNK-919546f0-4
0.461
ALP-POS-3b848b35-1
0.459
MAT-POS-3b92565d-2
0.459
RAL-THA-2d450e86-18
0.459
RAL-THA-2d450e86-8
0.458
MAK-UNK-c749d764-11
0.458
MIC-UNK-df9dcda8-2
0.456
RAL-THA-1d44ff04-7
0.456
MAT-POS-bbbbc21a-3
0.456
MIC-UNK-16ccb665-2
0.455
MIC-UNK-16ccb665-3
0.455
RAL-THA-2d450e86-23
0.453
BEN-DND-362d364a-8
0.453
ROB-UNI-b2e39629-4
0.453
MAT-POS-281d2ee9-2
0.452
MIC-UNK-644c43c7-3
0.452
RAL-THA-1d44ff04-8
0.452
ALP-POS-d7944b10-2
0.452
RAL-THA-1d44ff04-9
0.451
ALP-POS-d7944b10-7
0.449
RAL-THA-2d450e86-10
0.447
RAL-THA-2d450e86-33
0.447
MAT-POS-23a8a11a-1
0.447
PET-UNK-8c422e11-1
0.446
ALP-POS-df536be7-5
0.446
RAL-THA-1d44ff04-5
0.446
DAR-DIA-0587064e-6
0.444
RAL-THA-1d44ff04-4
0.444
RAL-THA-2d450e86-6
0.443
RAL-THA-2d450e86-9
0.443
PET-UNK-3c72d439-1
0.443
DAR-DIA-0587064e-2
0.442
DAR-DIA-0587064e-4
0.442
MIC-UNK-644c43c7-4
0.442
RAL-THA-2d450e86-39
0.442
VLA-UNK-b9c208fe-2
0.442
MAT-POS-afd4d4fd-2
0.442
PET-UNK-8c422e11-3
0.441
PET-UNK-1e7f2e90-1
0.441
TAM-UNI-c140e31a-2
0.441
MIC-UNK-16ccb665-1
0.441
MIC-UNK-37660950-2
0.440
MAT-POS-cc05818f-1
0.440
RAL-THA-2d450e86-17
0.440
MAT-POS-fce787c2-1
0.440
MAK-UNK-c749d764-32
0.439