Molecular Properties | |
SMILES: | COc1c(Cl)cccc1CC(=O)Nc1cncc2ccccc12 |
MW: | 326.08 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 51.22 |
cLogP: | 4.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-fce787c2-1
0.775
IVS-FNM-f9a14d04-1
0.688
MAT-POS-afd4d4fd-1
0.681
RAL-THA-2d450e86-20
0.681
MAT-POS-afd4d4fd-3
0.676
RAL-THA-2d450e86-36
0.667
MAK-UNK-c749d764-32
0.662
RAL-THA-2d450e86-19
0.658
RAL-THA-2d450e86-38
0.643
RAL-THA-2d450e86-21
0.632
RAL-THA-2d450e86-39
0.630
RAL-THA-2d450e86-4
0.603
MAK-UNK-919546f0-4
0.600
RAL-THA-2d450e86-2
0.597
RAL-THA-2d450e86-29
0.595
MAT-POS-bbbbc21a-1
0.595
MAT-POS-3b92565d-1
0.595
RAL-THA-2d450e86-34
0.587
MAK-UNK-c749d764-11
0.584
RAL-THA-2d450e86-11
0.584
RAL-THA-2d450e86-3
0.583
ALP-POS-3b848b35-1
0.582
MAT-POS-3b92565d-2
0.582
RAL-THA-2d450e86-18
0.582
RAL-THA-2d450e86-37
0.575
ADA-UCB-6c2cb422-1
0.573
MAT-POS-23a8a11a-1
0.573
PET-UNK-dd44aeb6-2
0.571
RAL-THA-2d450e86-24
0.571
RAL-THA-2d450e86-27
0.571
RAL-THA-2d450e86-30
0.568
MAT-POS-fce787c2-2
0.568
VLA-UNK-b9c208fe-2
0.566
RAL-THA-2d450e86-8
0.564
RAL-THA-2d450e86-1
0.563
MIC-UNK-df9dcda8-4
0.561
RAL-THA-2d450e86-23
0.558
BEN-DND-d1eb1f41-4
0.556
NAU-LAT-2fed8305-9
0.553
RAL-THA-2d450e86-10
0.553
RAL-THA-2d450e86-33
0.553
PET-UNK-dd44aeb6-1
0.551
RAL-THA-2d450e86-25
0.551
BEN-DND-d1eb1f41-6
0.549
RAL-THA-1d44ff04-6
0.548
RAL-THA-2d450e86-16
0.547
RAL-THA-2d450e86-35
0.547
RAL-THA-2d450e86-13
0.545
MAT-POS-afd4d4fd-2
0.545
RAL-THA-2d450e86-40
0.545
EDJ-MED-50011917-3
0.544
RAL-THA-2d450e86-9
0.544
RAL-THA-2d450e86-6
0.544
RAL-THA-2d450e86-14
0.544
RAL-THA-2d450e86-15
0.544
ALP-POS-df536be7-5
0.542
NAU-LAT-2fed8305-5
0.538
VLA-UNK-9a7dc93f-1
0.537
PET-UNK-bb7ffe78-1
0.537
DAR-DIA-0587064e-7
0.534
RAL-THA-2d450e86-7
0.533
NAU-LAT-2fed8305-6
0.532
PET-UNK-c9c1e0d8-1
0.526
MIC-UNK-df9dcda8-3
0.524
RAL-THA-1d44ff04-3
0.524
ALP-POS-6479a3a9-2
0.523
RAL-THA-2d450e86-26
0.519
PET-UNK-c9c1e0d8-2
0.519
RAL-THA-2d450e86-28
0.518
PET-UNK-dd44aeb6-3
0.518
PET-UNK-bb7ffe78-3
0.518
MIC-UNK-df9dcda8-1
0.518
DAR-DIA-0587064e-2
0.517
DAR-DIA-0587064e-4
0.517
RAL-THA-2d450e86-5
0.513
RAL-THA-2d450e86-32
0.513
RAL-THA-1d44ff04-9
0.512
ALP-POS-df536be7-6
0.511
ALP-POS-d7944b10-2
0.511
ALP-POS-d7944b10-16
0.511
PET-UNK-3c72d439-1
0.506
RAL-THA-2d450e86-31
0.506
RAL-THA-2d450e86-12
0.506
RAL-THA-1d44ff04-4
0.506
PET-UNK-8c422e11-1
0.506
ALP-POS-f13221e1-1
0.506
RAL-THA-1d44ff04-5
0.506
ALP-POS-d7944b10-7
0.505
RAL-THA-065e0743-1
0.500
MAK-UNK-919546f0-5
0.500
PET-UNK-8c422e11-3
0.500
PET-UNK-8c422e11-4
0.500
RAL-THA-2d450e86-17
0.500
MAT-POS-cc05818f-1
0.500
PET-UNK-1e7f2e90-1
0.500
MIC-UNK-16ccb665-2
0.500
MIC-UNK-16ccb665-1
0.500
VLA-UNK-b9c208fe-1
0.500
MIC-UNK-e8d6fb58-4
0.500
MIC-UNK-16ccb665-3
0.500