Molecular Properties | |
SMILES: | O=C(Cc1cccc(C2(F)CC2)c1)Nc1cncc2ccccc12 |
MW: | 320.13 |
Fraction sp3: | 0.2 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 41.99 |
cLogP: | 4.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0cde14eb-46
0.753
DAR-DIA-0cde14eb-49
0.743
DAR-DIA-0cde14eb-47
0.743
DAR-DIA-0cde14eb-59
0.714
ADA-UCB-6c2cb422-1
0.667
RAL-THA-2d450e86-10
0.667
PET-UNK-c9c1e0d8-1
0.635
RAL-THA-2d450e86-13
0.635
RAL-THA-2d450e86-12
0.632
RAL-THA-2d450e86-31
0.632
PET-UNK-c9c1e0d8-2
0.623
RAL-THA-2d450e86-11
0.610
RAL-THA-2d450e86-1
0.592
RAL-THA-2d450e86-6
0.590
DAR-DIA-0cde14eb-52
0.580
MAT-POS-23a8a11a-1
0.579
MAT-POS-fce787c2-2
0.573
RAL-THA-2d450e86-16
0.573
RAL-THA-2d450e86-30
0.573
RAL-THA-2d450e86-35
0.573
RAL-THA-2d450e86-8
0.570
RAL-THA-2d450e86-9
0.570
RAL-THA-2d450e86-2
0.560
RAL-THA-2d450e86-7
0.560
DAR-DIA-0cde14eb-57
0.560
DAR-DIA-0cde14eb-2
0.557
VLA-UNK-b9c208fe-2
0.551
RAL-THA-2d450e86-14
0.550
RAL-THA-2d450e86-3
0.547
NAU-LAT-2fed8305-5
0.544
RAL-THA-2d450e86-5
0.538
RAL-THA-2d450e86-32
0.538
RAL-THA-2d450e86-15
0.531
DAR-DIA-0cde14eb-33
0.529
RAL-THA-2d450e86-4
0.526
RAL-THA-2d450e86-26
0.525
PET-UNK-bb7ffe78-1
0.524
VLA-UNK-9a7dc93f-1
0.524
RAL-THA-2d450e86-17
0.524
MAT-POS-cc05818f-1
0.524
MIC-UNK-16ccb665-3
0.524
MIC-UNK-16ccb665-2
0.523
PET-UNK-8c422e11-4
0.523
MAK-UNK-919546f0-4
0.520
RAL-THA-2d450e86-36
0.519
RAL-THA-2d450e86-37
0.519
NAU-LAT-2fed8305-9
0.519
PET-UNK-dd44aeb6-1
0.519
RAL-THA-2d450e86-25
0.519
ALP-POS-f13221e1-3
0.519
BAR-COM-0f94fc3d-47
0.517
MAK-UNK-c749d764-11
0.512
ALP-POS-3b848b35-1
0.512
MAT-POS-3b92565d-2
0.512
RAL-THA-2d450e86-18
0.512
RAL-THA-1d44ff04-4
0.512
ALP-POS-f13221e1-1
0.512
PET-UNK-8c422e11-1
0.512
RAL-THA-2d450e86-23
0.506
NAU-LAT-2fed8305-2
0.506
PET-UNK-bb7ffe78-3
0.506
PET-UNK-8c422e11-3
0.506
MIC-UNK-16ccb665-1
0.506
PET-UNK-1e7f2e90-1
0.506
PET-UNK-c5865d42-1
0.506
MIC-UNK-644c43c7-3
0.500
RAL-THA-1d44ff04-13
0.500
NAU-LAT-2fed8305-6
0.500
MIC-UNK-08fa0751-2
0.500
MAT-POS-281d2ee9-1
0.500
RAL-THA-2d450e86-27
0.500
RAL-THA-2d450e86-33
0.500
PET-UNK-bb7ffe78-2
0.500
PET-UNK-dd44aeb6-2
0.500
RAL-THA-1d44ff04-10
0.500
RAL-THA-2d450e86-38
0.500
VLA-UNK-9a7dc93f-2
0.500
PET-UNK-8c422e11-2
0.500
RAL-THA-2d450e86-24
0.500
RAL-THA-2d450e86-19
0.500
RAL-THA-1d44ff04-5
0.494
RAL-THA-1d44ff04-3
0.494
PET-UNK-3c72d439-1
0.494
MAT-POS-afd4d4fd-2
0.494
RAL-THA-2d450e86-39
0.494
RAL-THA-2d450e86-34
0.494
MAT-POS-afd4d4fd-3
0.494
PET-UNK-c5865d42-2
0.489
PET-UNK-b87f07d0-1
0.489
MIC-UNK-644c43c7-4
0.489
RAL-THA-1d44ff04-7
0.489
RAL-THA-065e0743-1
0.489
VLA-UNK-b9c208fe-1
0.489
BEN-DND-d1eb1f41-4
0.488
PET-UNK-b87f07d0-3
0.484
MIC-UNK-644c43c7-1
0.484
PET-UNK-cf04cb02-1
0.484
MAT-POS-281d2ee9-2
0.484
RAL-THA-1d44ff04-8
0.484
RAL-THA-1d44ff04-11
0.483