Molecular Properties | |
SMILES: | O=C(Cc1cccc(C(F)F)c1O)Nc1cncc2ccccc12 |
MW: | 328.1 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 62.22 |
cLogP: | 4.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-919546f0-4
0.642
RAL-THA-2d450e86-37
0.614
RAL-THA-2d450e86-36
0.614
RAL-THA-2d450e86-23
0.595
RAL-THA-2d450e86-38
0.592
RAL-THA-2d450e86-19
0.587
RAL-THA-2d450e86-22
0.584
MAT-POS-afd4d4fd-3
0.581
RAL-THA-2d450e86-1
0.580
MAT-POS-fce787c2-1
0.570
MIC-UNK-16ccb665-3
0.570
RAL-THA-2d450e86-7
0.569
RAL-THA-2d450e86-10
0.568
RAL-THA-2d450e86-20
0.566
RAL-THA-2d450e86-25
0.566
RAL-THA-2d450e86-24
0.566
PET-UNK-dd44aeb6-2
0.566
MAT-POS-afd4d4fd-1
0.566
PET-UNK-dd44aeb6-1
0.566
RAL-THA-2d450e86-16
0.562
RAL-THA-2d450e86-35
0.562
RAL-THA-2d450e86-39
0.560
RAL-THA-2d450e86-40
0.560
RAL-THA-2d450e86-3
0.556
RAL-THA-2d450e86-26
0.553
MAK-UNK-c749d764-32
0.551
RAL-THA-2d450e86-2
0.548
RAL-THA-2d450e86-32
0.547
ADA-UCB-6c2cb422-1
0.547
RAL-THA-2d450e86-33
0.547
RAL-THA-2d450e86-27
0.545
RAL-THA-2d450e86-21
0.544
RAL-THA-2d450e86-30
0.541
MAT-POS-fce787c2-2
0.541
RAL-THA-2d450e86-34
0.539
MAT-POS-afd4d4fd-2
0.539
VLA-UNK-b9c208fe-2
0.539
RAL-THA-2d450e86-13
0.539
PET-UNK-c9c1e0d8-1
0.539
RAL-THA-2d450e86-31
0.538
RAL-THA-2d450e86-4
0.533
MIC-UNK-16ccb665-1
0.530
PET-UNK-8c422e11-3
0.530
RAL-THA-2d450e86-5
0.526
MAT-POS-23a8a11a-1
0.526
RAL-THA-2d450e86-14
0.519
RAL-THA-2d450e86-6
0.519
RAL-THA-2d450e86-12
0.519
RAL-THA-2d450e86-11
0.519
RAL-THA-2d450e86-9
0.519
MIC-UNK-df9dcda8-3
0.519
MIC-UNK-df9dcda8-4
0.518
NAU-LAT-2fed8305-5
0.513
PET-UNK-c9c1e0d8-2
0.512
VLA-UNK-9a7dc93f-1
0.512
RAL-THA-2d450e86-28
0.512
MAT-POS-bbbbc21a-1
0.512
PET-UNK-dd44aeb6-3
0.512
RAL-THA-2d450e86-29
0.512
DAR-DIA-0cde14eb-48
0.512
MAT-POS-3b92565d-1
0.512
BEN-DND-d1eb1f41-4
0.512
MIC-UNK-16ccb665-2
0.512
NAU-LAT-2fed8305-6
0.506
NAU-LAT-2fed8305-9
0.506
DAR-DIA-0cde14eb-47
0.506
BEN-DND-d1eb1f41-6
0.506
VLA-UNK-9a7dc93f-2
0.506
NAU-LAT-30527ac5-1
0.506
ALP-POS-3b848b35-1
0.500
MAT-POS-3b92565d-2
0.500
RAL-THA-2d450e86-18
0.500
RAL-THA-2d450e86-8
0.500
PET-UNK-3c72d439-1
0.500
RAL-THA-2d450e86-15
0.500
MIC-UNK-644c43c7-4
0.494
MIC-UNK-df9dcda8-1
0.494
DAR-DIA-0cde14eb-46
0.494
PET-UNK-bb7ffe78-1
0.494
BAR-COM-0f94fc3d-47
0.488
MAT-POS-281d2ee9-1
0.488
PET-UNK-bb7ffe78-2
0.488
DAR-DIA-0cde14eb-49
0.488
RAL-THA-1d44ff04-10
0.488
ALP-POS-d7944b10-7
0.484
ALP-POS-6479a3a9-2
0.483
ALP-POS-df536be7-5
0.482
RAL-THA-1d44ff04-3
0.482
PET-UNK-8c422e11-1
0.482
RAL-THA-1d44ff04-4
0.482
DAR-DIA-0587064e-7
0.478
MIC-UNK-df9dcda8-2
0.477
MAT-POS-bbbbc21a-3
0.477
PET-UNK-8c422e11-4
0.477
VLA-UNK-b9c208fe-1
0.477
RAL-THA-065e0743-1
0.477
MAT-POS-cc05818f-1
0.476
RAL-THA-2d450e86-17
0.476
PET-UNK-bb7ffe78-3
0.476
MAK-UNK-919546f0-5
0.474