Molecular Properties | |
SMILES: | CN(C)c1ccc2cncc(NC(=O)[C@@H]3CCS(=O)(=O)c4ccc(Cl)cc43)c2c1 |
MW: | 429.09 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 79.37 |
cLogP: | 3.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-09a29654-1
0.800
PET-UNK-2c6614b6-6
0.736
EDJ-MED-93390d0c-1
0.714
PET-UNK-7bb24635-6
0.707
PET-UNK-7bb24635-5
0.699
EDJ-MED-d9f3798e-3
0.684
MAT-POS-66a736cf-1
0.682
LUO-POS-868e8996-13
0.682
LUO-POS-868e8996-14
0.682
MIC-UNK-91acba05-3
0.682
BEN-DND-f06bfa8e-5
0.670
EDJ-MED-b7309adf-2
0.670
PET-UNK-2c6614b6-7
0.670
EDJ-MED-94fddcec-1
0.660
PET-UNK-2c6614b6-8
0.659
PET-UNK-2c6614b6-9
0.656
PET-UNK-2c6614b6-2
0.653
PET-UNK-b38839dc-17
0.646
PET-UNK-ee8352fa-4
0.645
PET-UNK-b38839dc-16
0.639
PET-UNK-09a29654-3
0.634
ALP-POS-6f6ae286-7
0.632
EDG-MED-f9979214-2
0.632
PET-UNK-2c6614b6-5
0.628
MAT-POS-86c60949-1
0.628
EDJ-MED-b7309adf-1
0.628
EDJ-MED-93390d0c-2
0.625
EDG-MED-f9979214-1
0.622
PET-UNK-09a29654-2
0.620
PET-UNK-2c6614b6-3
0.619
BEN-DND-0ac71396-1
0.615
EDJ-MED-94fddcec-2
0.611
PET-UNK-b1ef24dc-15
0.606
BEN-DND-0ac71396-2
0.596
PET-UNK-b1ef24dc-16
0.596
PET-UNK-b38839dc-15
0.596
PET-UNK-7f7e354d-3
0.589
EDJ-MED-94fddcec-3
0.589
PET-UNK-2c6614b6-4
0.583
PET-UNK-b1ef24dc-13
0.579
PET-UNK-fe31e24a-2
0.576
PET-UNK-2c6614b6-1
0.571
PET-UNK-b1ef24dc-14
0.567
PET-UNK-fe31e24a-6
0.560
PET-UNK-b78139fa-7
0.536
PET-UNK-7bb24635-1
0.524
MAT-POS-78ab8081-5
0.509
EDJ-MED-dd2a8363-2
0.500
PET-UNK-158bee2a-11
0.500
MIC-UNK-8758c41d-1
0.495
PET-UNK-19e211a9-10
0.491
MAT-POS-78ab8081-6
0.491
PET-UNK-022eab87-1
0.490
PET-UNK-158bee2a-12
0.484
ALF-EVA-5b152d2f-3
0.480
PET-UNK-158bee2a-10
0.479
PET-UNK-329a9ce9-2
0.477
PET-UNK-b78139fa-2
0.476
PET-UNK-b78139fa-8
0.475
PET-UNK-b78139fa-6
0.475
EDJ-MED-ba7e64f2-1
0.475
BEN-DND-c852c98b-4
0.475
ALF-EVA-5b152d2f-2
0.466
MAT-POS-90fd5f68-25
0.464
PET-UNK-d899bab6-1
0.464
ALP-POS-a577c8a2-2
0.462
MAK-UNK-8be7dca9-7
0.462
ALP-POS-696356e4-1
0.461
EDG-MED-5d232de5-2
0.461
EDG-MED-5d232de5-1
0.461
ALP-POS-ce760d3f-7
0.461
PET-UNK-b78139fa-9
0.460
PET-UNK-158bee2a-9
0.460
PET-UNK-e9bc7c59-1
0.459
BEN-DND-f06bfa8e-4
0.457
ERI-UCB-8d4e5055-4
0.457
BEN-DND-c852c98b-3
0.457
MAT-POS-f9802937-7
0.457
BEN-DND-c852c98b-5
0.457
PET-UNK-e9bc7c59-4
0.455
RAL-THA-b9d6aec1-1
0.454
BEN-DND-c852c98b-2
0.454
PET-UNK-064639eb-4
0.453
PET-UNK-064639eb-1
0.453
EDJ-MED-d9f3798e-2
0.450
PET-UNK-b78139fa-3
0.449
RAL-THA-b9d6aec1-3
0.449
PET-UNK-ee8352fa-6
0.449
MAK-UNK-8be7dca9-8
0.449
ALP-POS-82da25a3-2
0.443
MAT-POS-8293a91a-3
0.443
MAT-POS-af1eef35-3
0.442
ALP-POS-a577c8a2-1
0.442
EDJ-MED-e18764cb-2
0.442
BEN-DND-d6f8d3c6-1
0.442
PET-UNK-b78139fa-5
0.442
EDJ-MED-f9b78f78-2
0.441
PET-UNK-ee8352fa-1
0.440
RAL-THA-b9d6aec1-2
0.440
BEN-DND-c852c98b-7
0.439