Molecular Properties | |
SMILES: | CNCc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12 |
MW: | 339.11 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 54.02 |
cLogP: | 3.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-d7944b10-2
0.776
ALP-POS-6479a3a9-2
0.773
BEN-DND-d1eb1f41-6
0.743
ALP-POS-d7944b10-7
0.716
ALP-POS-df536be7-6
0.709
MIC-UNK-06e5f114-1
0.707
ALP-POS-d7944b10-10
0.702
ALP-POS-d7944b10-17
0.687
ALP-POS-d7944b10-12
0.687
RAL-THA-2d450e86-27
0.685
ALP-POS-d7944b10-6
0.682
ALP-POS-d7944b10-13
0.678
ALP-POS-d7944b10-15
0.674
ALP-POS-d7944b10-8
0.671
ALP-POS-d7944b10-5
0.667
MIC-UNK-06e5f114-2
0.667
MAT-POS-3b92565d-1
0.662
MAT-POS-bbbbc21a-1
0.662
RAL-THA-2d450e86-29
0.662
RAL-THA-2d450e86-24
0.662
RAL-THA-2d450e86-25
0.662
PET-UNK-dd44aeb6-1
0.662
PET-UNK-dd44aeb6-2
0.662
ALP-POS-d7944b10-3
0.659
ALP-POS-6479a3a9-1
0.659
ALP-POS-d7944b10-14
0.655
ALP-POS-d7944b10-18
0.652
MIC-UNK-06e5f114-4
0.644
ALP-POS-d054b76b-5
0.644
RAL-THA-2d450e86-28
0.641
PET-UNK-dd44aeb6-3
0.641
ALP-POS-d7944b10-4
0.637
ALP-POS-bb8a3193-6
0.630
MIC-UNK-df9dcda8-3
0.628
ALP-POS-d7944b10-9
0.628
MIC-UNK-df9dcda8-4
0.625
MIC-UNK-df9dcda8-1
0.617
MIC-UNK-06e5f114-3
0.617
ALP-POS-d7944b10-1
0.607
ALP-POS-6479a3a9-3
0.607
ALP-POS-d7944b10-11
0.604
MIC-UNK-df9dcda8-2
0.595
RAL-THA-2d450e86-30
0.595
ALP-POS-d7944b10-16
0.586
ALP-POS-df536be7-5
0.585
MAK-UNK-919546f0-4
0.583
RAL-THA-2d450e86-2
0.581
RAL-THA-2d450e86-36
0.581
ADA-UCB-6c2cb422-1
0.579
RAL-THA-2d450e86-33
0.579
MAT-POS-fce787c2-2
0.573
RAL-THA-2d450e86-39
0.571
RAL-THA-2d450e86-6
0.570
RAL-THA-2d450e86-26
0.564
VLA-UNK-9a7dc93f-1
0.562
RAL-THA-2d450e86-37
0.560
RAL-THA-2d450e86-38
0.560
NAU-LAT-2fed8305-9
0.558
MAT-POS-23a8a11a-1
0.558
MAT-POS-afd4d4fd-1
0.557
RAL-THA-2d450e86-20
0.557
RAL-THA-2d450e86-21
0.556
RAL-THA-2d450e86-22
0.556
NAU-LAT-30527ac5-1
0.553
VLA-UNK-b9c208fe-2
0.551
RAL-THA-2d450e86-40
0.551
MAT-POS-afd4d4fd-2
0.551
MAT-POS-afd4d4fd-3
0.551
RAL-THA-2d450e86-34
0.551
RAL-THA-2d450e86-8
0.550
RAL-THA-2d450e86-15
0.550
PET-UNK-3c72d439-1
0.550
MIC-UNK-37660950-2
0.549
RAL-THA-2d450e86-18
0.549
ALP-POS-3b848b35-1
0.549
MAT-POS-3b92565d-2
0.549
NAU-LAT-2fed8305-5
0.544
PET-UNK-bb7ffe78-1
0.543
MIC-UNK-16ccb665-3
0.542
MAT-POS-bbbbc21a-3
0.540
RAL-THA-2d450e86-19
0.537
RAL-THA-1d44ff04-11
0.535
RAL-THA-1d44ff04-6
0.535
MAT-POS-281d2ee9-1
0.535
MIC-UNK-e7433122-1
0.532
RAL-THA-2d450e86-13
0.532
RAL-THA-2d450e86-14
0.531
RAL-THA-2d450e86-9
0.531
RAL-THA-1d44ff04-3
0.529
RAL-THA-1d44ff04-5
0.529
RAL-THA-2d450e86-1
0.527
RAL-THA-2d450e86-3
0.526
MIC-UNK-37660950-1
0.526
RAL-THA-2d450e86-4
0.526
RAL-THA-2d450e86-23
0.525
MAK-UNK-c749d764-32
0.524
PET-UNK-bb7ffe78-3
0.524
RAL-THA-2d450e86-17
0.524
MAT-POS-fce787c2-1
0.524
MAT-POS-cc05818f-1
0.524