Molecular Properties | |
SMILES: | COc1ccc2c(NC(=O)C3CCS(=O)(=O)c4ccc(Cl)cc43)cncc2c1 |
MW: | 416.06 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 85.36 |
cLogP: | 3.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
EDJ-MED-b7309adf-1
ALP-POS-6f6ae286-7
1.000
BEN-DND-0ac71396-2
0.784
EDJ-MED-b7309adf-2
0.780
BEN-DND-f06bfa8e-5
0.780
MAT-POS-86c60949-1
0.727
EDJ-MED-b7309adf-1
0.727
PET-UNK-2c6614b6-5
0.727
EDJ-MED-93390d0c-2
0.722
PET-UNK-2c6614b6-3
0.714
BEN-DND-0ac71396-1
0.711
PET-UNK-b38839dc-17
0.707
EDG-MED-f9979214-1
0.699
PET-UNK-b38839dc-16
0.699
PET-UNK-2c6614b6-7
0.697
MIC-UNK-91acba05-3
0.690
LUO-POS-868e8996-14
0.690
MAT-POS-66a736cf-1
0.690
LUO-POS-868e8996-13
0.690
EDJ-MED-94fddcec-1
0.684
PET-UNK-2c6614b6-9
0.682
PET-UNK-2c6614b6-2
0.677
PET-UNK-7bb24635-5
0.653
PET-UNK-2c6614b6-8
0.648
PET-UNK-2c6614b6-6
0.648
PET-UNK-7bb24635-6
0.642
PET-UNK-7bb24635-4
0.632
EDJ-MED-93390d0c-1
0.632
PET-UNK-09a29654-2
0.626
PET-UNK-b38839dc-15
0.620
PET-UNK-09a29654-3
0.608
EDJ-MED-d9f3798e-3
0.606
PET-UNK-b1ef24dc-16
0.602
PET-UNK-b1ef24dc-15
0.596
PET-UNK-7f7e354d-3
0.596
PET-UNK-09a29654-1
0.594
PET-UNK-2c6614b6-4
0.589
PET-UNK-b1ef24dc-13
0.585
EDJ-MED-94fddcec-3
0.579
PET-UNK-2c6614b6-1
0.577
PET-UNK-b1ef24dc-14
0.573
EDJ-MED-94fddcec-2
0.567
BEN-DND-f06bfa8e-4
0.535
PET-UNK-b78139fa-3
0.525
PET-UNK-b78139fa-5
0.520
EDJ-MED-f9b78f78-5
0.510
ERI-UCB-b3e6b0c2-17
0.509
PET-UNK-158bee2a-11
0.505
ERI-UCB-b3e6b0c2-15
0.505
EDJ-MED-be9e6f63-1
0.500
MIC-UNK-8758c41d-1
0.500
ERI-UCB-b3e6b0c2-16
0.500
PET-UNK-b78139fa-2
0.495
PET-UNK-b78139fa-6
0.495
PET-UNK-022eab87-1
0.495
MAT-POS-f9802937-7
0.490
EDJ-MED-dd2a8363-2
0.490
PET-UNK-158bee2a-12
0.489
EDJ-MED-f9b78f78-1
0.485
PET-UNK-158bee2a-10
0.484
PET-UNK-b78139fa-9
0.480
ALP-POS-a577c8a2-1
0.475
BEN-DND-d6f8d3c6-1
0.475
EDJ-MED-e18764cb-2
0.475
MAT-POS-af1eef35-3
0.475
MAT-POS-c20a539d-1
0.469
PET-UNK-b78139fa-7
0.465
PET-UNK-b78139fa-8
0.465
PET-UNK-158bee2a-9
0.465
EDJ-MED-f9b78f78-2
0.459
RUB-POS-1325a9ea-10
0.457
MAK-UNK-8be7dca9-9
0.456
ALP-POS-a577c8a2-2
0.452
TET-ENA-382364b7-1
0.449
PET-UNK-f4e47ebd-4
0.449
ALP-POS-82da25a3-1
0.448
MAT-POS-7ddaf7de-2
0.443
ERI-UCB-8d4e5055-3
0.443
PET-UNK-03fd2068-1
0.442
MAT-POS-1ecf5680-1
0.440
ALF-EVA-5b152d2f-5
0.439
PET-UNK-b38839dc-5
0.435
PET-UNK-b38839dc-4
0.431
PET-UNK-064639eb-1
0.430
PET-UNK-064639eb-4
0.430
MAK-UNK-8be7dca9-5
0.430
PET-UNK-6314f867-1
0.430
EDJ-MED-d9f3798e-2
0.429
JAG-UCB-571deb56-5
0.427
MAT-POS-1ecf5680-2
0.427
MAT-POS-b3e365b9-1
0.427
MAT-POS-b3e365b9-2
0.427
VLA-UCB-1dbca3b4-15
0.427
MAT-POS-f7918075-1
0.427
PET-UNK-b1ef24dc-24
0.427
PET-UNK-5ad1c31a-2
0.423
JAG-UCB-571deb56-2
0.423
PET-UNK-5ad1c31a-8
0.423
PET-UNK-b1ef24dc-23
0.423
MAK-UNK-8be7dca9-2
0.422
ALF-EVA-5b152d2f-8
0.422