Molecular Properties | |
SMILES: | NC(=O)Nc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12 |
MW: | 354.09 |
Fraction sp3: | 0.06 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 97.11 |
cLogP: | 3.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-df9dcda8-4
0.792
MIC-UNK-df9dcda8-1
0.711
PET-UNK-dd44aeb6-1
0.671
RAL-THA-2d450e86-27
0.671
RAL-THA-2d450e86-25
0.671
RAL-THA-2d450e86-24
0.671
PET-UNK-dd44aeb6-2
0.671
MIC-UNK-e7433122-1
0.663
RAL-THA-2d450e86-29
0.628
BEN-DND-d1eb1f41-4
0.628
MAT-POS-3b92565d-1
0.628
MAT-POS-bbbbc21a-1
0.628
RAL-THA-2d450e86-28
0.628
PET-UNK-dd44aeb6-3
0.628
MIC-UNK-37660950-2
0.628
BEN-DND-d1eb1f41-6
0.620
MIC-UNK-37660950-1
0.600
ALP-POS-6479a3a9-2
0.590
RAL-THA-2d450e86-36
0.589
RAL-THA-2d450e86-2
0.589
ADA-UCB-6c2cb422-1
0.587
MIC-UNK-df9dcda8-2
0.583
RAL-THA-2d450e86-30
0.581
MAT-POS-fce787c2-2
0.581
MIC-UNK-37660950-4
0.581
RAL-THA-2d450e86-34
0.579
RAL-THA-2d450e86-6
0.577
ALP-POS-6479a3a9-3
0.576
ALP-POS-d7944b10-1
0.576
ALP-POS-df536be7-6
0.576
ALP-POS-d7944b10-2
0.576
ALP-POS-d7944b10-16
0.575
RAL-THA-2d450e86-26
0.571
MAK-UNK-919546f0-4
0.569
RAL-THA-2d450e86-37
0.568
NAU-LAT-2fed8305-9
0.566
RAL-THA-2d450e86-33
0.566
MIC-UNK-37660950-3
0.562
MAT-POS-afd4d4fd-3
0.558
PET-UNK-3c72d439-1
0.557
RAL-THA-1d44ff04-4
0.556
NAU-LAT-2fed8305-5
0.551
ALP-POS-d7944b10-7
0.551
RAL-THA-2d450e86-38
0.547
MAT-POS-bbbbc21a-3
0.547
MAT-POS-23a8a11a-1
0.545
MIC-UNK-06e5f114-1
0.544
ALP-POS-d7944b10-12
0.544
ALP-POS-d7944b10-17
0.544
MAT-POS-afd4d4fd-1
0.544
RAL-THA-2d450e86-19
0.544
RAL-THA-2d450e86-20
0.544
ALP-POS-d7944b10-10
0.543
NAU-LAT-30527ac5-1
0.541
MAT-POS-281d2ee9-1
0.541
MAT-POS-afd4d4fd-2
0.538
VLA-UNK-b9c208fe-2
0.538
ALP-POS-d7944b10-15
0.538
RAL-THA-2d450e86-9
0.537
RAL-THA-2d450e86-14
0.537
RAL-THA-2d450e86-15
0.537
ALP-POS-d7944b10-18
0.537
ALP-POS-df536be7-5
0.536
RAL-THA-2d450e86-1
0.534
ALP-POS-d7944b10-8
0.533
RAL-THA-2d450e86-23
0.532
PET-UNK-bb7ffe78-1
0.531
ALP-POS-f13221e1-2
0.531
MAK-UNK-c749d764-32
0.531
VLA-UNK-9a7dc93f-1
0.531
MIC-UNK-16ccb665-3
0.530
ALP-POS-d7944b10-6
0.527
NAU-LAT-2fed8305-6
0.526
RAL-THA-2d450e86-22
0.524
RAL-THA-2d450e86-21
0.524
RAL-THA-1d44ff04-10
0.524
RAL-THA-1d44ff04-11
0.523
ALP-POS-d7944b10-14
0.521
RAL-THA-2d450e86-16
0.519
RAL-THA-2d450e86-35
0.519
RAL-THA-2d450e86-39
0.519
RAL-THA-2d450e86-40
0.519
RAL-THA-2d450e86-8
0.519
MAK-UNK-c749d764-11
0.519
ALP-POS-3b848b35-1
0.518
MAT-POS-3b92565d-2
0.518
RAL-THA-2d450e86-18
0.518
RAL-THA-1d44ff04-3
0.518
ALP-POS-d7944b10-5
0.516
MIC-UNK-06e5f114-2
0.516
MIC-UNK-06e5f114-4
0.515
RAL-THA-2d450e86-3
0.513
PET-UNK-bb7ffe78-3
0.512
MAT-POS-fce787c2-1
0.512
MAT-POS-cc05818f-1
0.512
RAL-THA-2d450e86-17
0.512
ALP-POS-d7944b10-3
0.510
ALP-POS-6479a3a9-1
0.510
ALP-POS-d7944b10-13
0.510
RAL-THA-2d450e86-7
0.506