Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1Cl)Nc1cncc2ccccc12 |
MW: | 330.03 |
Fraction sp3: | 0.06 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.99 |
cLogP: | 4.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
RAL-THA-2d450e86-36
0.719
MAT-POS-afd4d4fd-1
0.706
RAL-THA-2d450e86-20
0.706
RAL-THA-2d450e86-19
0.706
MAK-UNK-c749d764-32
0.686
RAL-THA-2d450e86-21
0.676
RAL-THA-2d450e86-22
0.676
MAT-POS-fce787c2-1
0.658
MAK-UNK-919546f0-4
0.646
RAL-THA-2d450e86-38
0.642
RAL-THA-2d450e86-34
0.629
RAL-THA-2d450e86-37
0.618
RAL-THA-2d450e86-24
0.611
PET-UNK-dd44aeb6-2
0.611
RAL-THA-2d450e86-23
0.597
RAL-THA-2d450e86-2
0.594
NAU-LAT-2fed8305-9
0.592
ADA-UCB-6c2cb422-1
0.592
MAT-POS-23a8a11a-1
0.592
RAL-THA-2d450e86-33
0.592
RAL-THA-2d450e86-27
0.589
PET-UNK-dd44aeb6-1
0.589
RAL-THA-2d450e86-25
0.589
RAL-THA-2d450e86-30
0.586
MAT-POS-fce787c2-2
0.586
RAL-THA-2d450e86-39
0.583
MAT-POS-afd4d4fd-2
0.583
RAL-THA-2d450e86-40
0.583
VLA-UNK-b9c208fe-2
0.583
RAL-THA-2d450e86-1
0.582
MAK-UNK-c749d764-11
0.581
RAL-THA-2d450e86-26
0.575
RAL-THA-2d450e86-29
0.571
MAT-POS-bbbbc21a-1
0.571
MAT-POS-3b92565d-1
0.571
RAL-THA-2d450e86-7
0.571
NAU-LAT-2fed8305-6
0.569
RAL-THA-2d450e86-10
0.569
RAL-THA-2d450e86-35
0.563
RAL-THA-2d450e86-16
0.563
RAL-THA-2d450e86-9
0.560
RAL-THA-2d450e86-6
0.560
RAL-THA-2d450e86-14
0.560
RAL-THA-2d450e86-8
0.560
MIC-UNK-df9dcda8-3
0.558
RAL-THA-2d450e86-3
0.557
ALP-POS-df536be7-5
0.557
NAU-LAT-2fed8305-5
0.554
VLA-UNK-9a7dc93f-1
0.553
PET-UNK-c9c1e0d8-2
0.553
PET-UNK-bb7ffe78-1
0.553
RAL-THA-2d450e86-28
0.551
PET-UNK-dd44aeb6-3
0.551
BEN-DND-d1eb1f41-4
0.551
BEN-DND-d1eb1f41-6
0.544
IVS-FNM-f9a14d04-1
0.543
PET-UNK-c9c1e0d8-1
0.541
RAL-THA-2d450e86-13
0.541
RAL-THA-2d450e86-15
0.539
PET-UNK-3c72d439-1
0.539
RAL-THA-1d44ff04-3
0.537
MIC-UNK-df9dcda8-4
0.537
RAL-THA-2d450e86-4
0.534
MIC-UNK-df9dcda8-1
0.531
DAR-DIA-0587064e-7
0.529
RAL-THA-2d450e86-32
0.527
RAL-THA-2d450e86-5
0.527
NAU-LAT-30527ac5-1
0.524
RAL-THA-2d450e86-11
0.519
RAL-THA-2d450e86-31
0.519
RAL-THA-2d450e86-12
0.519
RAL-THA-1d44ff04-4
0.519
RAL-THA-2d450e86-18
0.519
ALP-POS-3b848b35-1
0.519
MAT-POS-3b92565d-2
0.519
PET-UNK-8c422e11-1
0.519
ALP-POS-6479a3a9-2
0.518
MAK-UNK-919546f0-5
0.514
MIC-UNK-16ccb665-3
0.512
PET-UNK-bb7ffe78-3
0.512
RAL-THA-2d450e86-17
0.512
MAT-POS-cc05818f-1
0.512
VLA-UNK-b9c208fe-1
0.512
MIC-UNK-df9dcda8-2
0.512
MIC-UNK-644c43c7-4
0.512
MAT-POS-bbbbc21a-3
0.512
ALP-POS-f13221e1-3
0.506
RAL-THA-1d44ff04-10
0.506
DAR-DIA-0cde14eb-49
0.506
RAL-THA-1d44ff04-13
0.506
DAR-DIA-0cde14eb-47
0.506
RAL-THA-1d44ff04-6
0.506
RAL-THA-1d44ff04-9
0.506
MAT-POS-281d2ee9-1
0.506
ALP-POS-df536be7-1
0.506
ALP-POS-df536be7-6
0.506
ALP-POS-d7944b10-1
0.506
ALP-POS-6479a3a9-3
0.506
ALP-POS-d7944b10-2
0.506
RAL-THA-1d44ff04-5
0.500