Molecular Properties | |
SMILES: | N#Cc1c(Cl)cccc1CC(=O)Nc1cncc2ccccc12 |
MW: | 321.07 |
Fraction sp3: | 0.06 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 65.78 |
cLogP: | 3.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-afd4d4fd-3
0.676
RAL-THA-2d450e86-36
0.667
MAT-POS-fce787c2-1
0.658
RAL-THA-2d450e86-19
0.658
MAT-POS-afd4d4fd-1
0.658
RAL-THA-2d450e86-20
0.658
MAK-UNK-c749d764-32
0.640
RAL-THA-2d450e86-22
0.632
RAL-THA-2d450e86-40
0.630
MAK-UNK-919546f0-4
0.623
RAL-THA-2d450e86-38
0.597
PET-UNK-dd44aeb6-3
0.595
RAL-THA-2d450e86-28
0.595
RAL-THA-2d450e86-34
0.587
RAL-THA-2d450e86-37
0.575
RAL-THA-2d450e86-2
0.575
RAL-THA-2d450e86-33
0.573
RAL-THA-2d450e86-5
0.573
VLA-UNK-b9c208fe-1
0.573
PET-UNK-dd44aeb6-1
0.571
PET-UNK-dd44aeb6-2
0.571
RAL-THA-2d450e86-24
0.571
RAL-THA-2d450e86-25
0.571
VLA-UNK-b9c208fe-2
0.566
MAT-POS-afd4d4fd-2
0.566
RAL-THA-2d450e86-12
0.564
RAL-THA-2d450e86-23
0.558
BEN-DND-d1eb1f41-4
0.556
RAL-THA-2d450e86-17
0.556
MAT-POS-cc05818f-1
0.556
MAT-POS-23a8a11a-1
0.553
ADA-UCB-6c2cb422-1
0.553
RAL-THA-2d450e86-27
0.551
RAL-THA-2d450e86-30
0.547
MAT-POS-fce787c2-2
0.547
RAL-THA-2d450e86-39
0.545
MAK-UNK-c749d764-11
0.544
RAL-THA-2d450e86-1
0.542
VLA-UNK-9a7dc93f-1
0.537
NAU-LAT-2fed8305-6
0.532
NAU-LAT-2fed8305-9
0.532
IVS-FNM-f9a14d04-1
0.529
RAL-THA-2d450e86-13
0.526
PET-UNK-3c72d439-1
0.525
RAL-THA-2d450e86-9
0.525
RAL-THA-2d450e86-8
0.525
RAL-THA-2d450e86-6
0.525
MIC-UNK-df9dcda8-3
0.524
ALP-POS-df536be7-5
0.524
RAL-THA-2d450e86-3
0.520
NAU-LAT-2fed8305-5
0.519
RAL-THA-2d450e86-26
0.519
PET-UNK-c9c1e0d8-2
0.519
PET-UNK-bb7ffe78-1
0.519
RAL-THA-2d450e86-29
0.518
MAT-POS-bbbbc21a-1
0.518
MAT-POS-3b92565d-1
0.518
PET-UNK-1e7f2e90-1
0.518
DAR-DIA-0587064e-7
0.517
RAL-THA-2d450e86-7
0.513
RAL-THA-2d450e86-10
0.513
BEN-DND-d1eb1f41-6
0.512
VLA-UNK-9a7dc93f-2
0.512
RAL-THA-1d44ff04-6
0.512
NAU-LAT-30527ac5-1
0.512
DAR-DIA-0cde14eb-59
0.512
RAL-THA-2d450e86-35
0.506
RAL-THA-2d450e86-16
0.506
PET-UNK-c9c1e0d8-1
0.506
RAL-THA-2d450e86-15
0.506
RAL-THA-2d450e86-14
0.506
MAT-POS-3b92565d-2
0.506
ALP-POS-3b848b35-1
0.506
RAL-THA-2d450e86-18
0.506
MIC-UNK-df9dcda8-4
0.506
ALP-POS-6479a3a9-2
0.506
PET-UNK-bb7ffe78-3
0.500
MIC-UNK-df9dcda8-1
0.500
ALP-POS-d7944b10-3
0.500
RAL-THA-2d450e86-4
0.500
ALP-POS-6479a3a9-1
0.500
DAR-DIA-0587064e-2
0.500
ALP-POS-f13221e1-2
0.500
ALP-POS-d7944b10-10
0.500
ALP-POS-d7944b10-13
0.500
ALP-POS-bb8a3193-7
0.500
ALP-POS-df536be7-6
0.494
ALP-POS-d7944b10-2
0.494
ALP-POS-f13221e1-3
0.494
RAL-THA-2d450e86-32
0.494
ALP-POS-d7944b10-7
0.489
DAR-DIA-0587064e-3
0.489
RAL-THA-1d44ff04-3
0.488
RAL-THA-1d44ff04-4
0.488
RAL-THA-2d450e86-11
0.488
RAL-THA-2d450e86-31
0.488
MIC-UNK-06e5f114-1
0.484
MAT-POS-bbbbc21a-3
0.483
DAR-DIA-0587064e-4
0.483
MIC-UNK-df9dcda8-2
0.483