Molecular Properties | |
SMILES: | CNC(=O)CNC(=O)c1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12 |
MW: | 410.11 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 100.19 |
cLogP: | 2.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
ALP-POS-d7944b10-1
1.000
ALP-POS-d7944b10-16
0.747
RAL-THA-2d450e86-27
0.625
ALP-POS-d7944b10-2
0.614
BEN-DND-d1eb1f41-4
0.607
PET-UNK-dd44aeb6-2
0.605
RAL-THA-2d450e86-24
0.605
RAL-THA-2d450e86-25
0.605
PET-UNK-dd44aeb6-1
0.605
MAT-POS-bbbbc21a-1
0.588
RAL-THA-2d450e86-29
0.588
MAT-POS-3b92565d-1
0.588
BEN-DND-d1eb1f41-6
0.581
MIC-UNK-df9dcda8-3
0.576
MIC-UNK-df9dcda8-4
0.575
ALP-POS-6479a3a9-2
0.573
RAL-THA-2d450e86-28
0.570
PET-UNK-dd44aeb6-3
0.570
MIC-UNK-df9dcda8-1
0.568
MIC-UNK-df9dcda8-2
0.549
ALP-POS-df536be7-6
0.543
ALP-POS-d7944b10-17
0.531
RAL-THA-2d450e86-36
0.531
RAL-THA-2d450e86-2
0.531
ALP-POS-d7944b10-10
0.531
ADA-UCB-6c2cb422-1
0.530
RAL-THA-2d450e86-30
0.524
MAT-POS-fce787c2-2
0.524
RAL-THA-1d44ff04-5
0.522
RAL-THA-1d44ff04-3
0.522
ALP-POS-df536be7-5
0.522
ALP-POS-d7944b10-7
0.521
RAL-THA-2d450e86-26
0.518
ALP-POS-d7944b10-12
0.515
MIC-UNK-06e5f114-1
0.515
MAK-UNK-919546f0-4
0.512
RAL-THA-2d450e86-38
0.512
RAL-THA-2d450e86-37
0.512
RAL-THA-2d450e86-33
0.512
NAU-LAT-2fed8305-9
0.512
RAL-THA-2d450e86-19
0.512
MAT-POS-afd4d4fd-1
0.512
RAL-THA-2d450e86-20
0.512
RAL-THA-1d44ff04-11
0.511
NAU-LAT-30527ac5-1
0.511
MIC-UNK-37660950-2
0.510
ALP-POS-d7944b10-15
0.510
RAL-THA-2d450e86-34
0.506
MAT-POS-afd4d4fd-3
0.506
RAL-THA-2d450e86-15
0.506
PET-UNK-3c72d439-1
0.506
RAL-THA-2d450e86-6
0.506
ALP-POS-d7944b10-8
0.505
MAT-POS-bbbbc21a-3
0.500
VLA-UNK-9a7dc93f-1
0.500
ALP-POS-d7944b10-6
0.500
NAU-LAT-2fed8305-5
0.500
PET-UNK-bb7ffe78-1
0.500
ALP-POS-d7944b10-18
0.495
MIC-UNK-e7433122-1
0.495
NAU-LAT-30527ac5-4
0.495
MAT-POS-281d2ee9-1
0.495
RAL-THA-1d44ff04-6
0.495
RAL-THA-2d450e86-22
0.494
MAT-POS-23a8a11a-1
0.494
MIC-UNK-37660950-1
0.490
MIC-UNK-06e5f114-2
0.490
ALP-POS-d7944b10-5
0.490
EDJ-MED-50011917-2
0.490
MAT-POS-3b92565d-2
0.489
ALP-POS-3b848b35-1
0.489
RAL-THA-2d450e86-18
0.489
RAL-THA-2d450e86-8
0.489
RAL-THA-2d450e86-14
0.489
RAL-THA-2d450e86-9
0.489
RAL-THA-2d450e86-39
0.488
VLA-UNK-b9c208fe-2
0.488
ALP-POS-6479a3a9-1
0.485
ALP-POS-d7944b10-3
0.485
ALP-POS-d7944b10-13
0.485
PET-UNK-bb7ffe78-3
0.484
MAT-POS-fce787c2-1
0.484
MIC-UNK-16ccb665-3
0.484
MAK-UNK-c749d764-32
0.483
RAL-THA-2d450e86-23
0.483
RAL-THA-2d450e86-3
0.482
RAL-THA-2d450e86-1
0.481
ALP-POS-bb8a3193-6
0.481
ALP-POS-d7944b10-14
0.480
EDJ-MED-50011917-3
0.480
RAL-THA-1d44ff04-9
0.479
PET-UNK-8c422e11-2
0.479
RAL-THA-1d44ff04-13
0.478
RAL-THA-2d450e86-21
0.478
ALP-POS-f13221e1-3
0.477
NAU-LAT-2fed8305-6
0.477
MIC-UNK-06e5f114-4
0.476
MIC-UNK-37660950-4
0.476
ALP-POS-d054b76b-5
0.476
PET-UNK-8c422e11-1
0.473