Molecular Properties | |
SMILES: | CN(c1cc2c(NC(=O)[C@@H]3CCS(=O)(=O)c4ccc(Cl)cc43)cncc2cc1F)S(C)(=O)=O |
MW: | 511.04 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 113.51 |
cLogP: | 3.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Hetero_hetero
PET-UNK-7bb24635-5
0.815
PET-UNK-2c6614b6-7
0.713
PET-UNK-09a29654-1
0.710
PET-UNK-09a29654-2
0.710
EDJ-MED-94fddcec-1
0.700
PET-UNK-b38839dc-16
0.680
EDJ-MED-93390d0c-2
0.650
EDJ-MED-93390d0c-1
0.650
PET-UNK-2c6614b6-6
0.649
PET-UNK-7bb24635-6
0.644
EDJ-MED-b7309adf-2
0.642
BEN-DND-f06bfa8e-5
0.642
PET-UNK-2c6614b6-5
0.636
EDJ-MED-b7309adf-1
0.636
MAT-POS-86c60949-1
0.636
PET-UNK-7bb24635-4
0.634
EDG-MED-f9979214-1
0.631
EDJ-MED-d9f3798e-3
0.625
BEN-DND-0ac71396-1
0.624
PET-UNK-329a9ce9-4
0.623
PET-UNK-b38839dc-17
0.621
PET-UNK-e9bc7c59-3
0.613
EDG-MED-f9979214-2
0.608
ALP-POS-6f6ae286-7
0.608
LUO-POS-868e8996-14
0.602
MIC-UNK-91acba05-3
0.602
LUO-POS-868e8996-13
0.602
MAT-POS-66a736cf-1
0.602
PET-UNK-2c6614b6-2
0.596
PET-UNK-2c6614b6-3
0.596
PET-UNK-2c6614b6-9
0.596
BEN-DND-0ac71396-2
0.590
PET-UNK-e9bc7c59-6
0.587
PET-UNK-2c6614b6-8
0.584
EDJ-MED-94fddcec-2
0.573
PET-UNK-2c6614b6-1
0.552
PET-UNK-2c6614b6-4
0.548
PET-UNK-09a29654-6
0.548
PET-UNK-b1ef24dc-16
0.544
PET-UNK-b38839dc-15
0.544
PET-UNK-7f7e354d-3
0.538
PET-UNK-b1ef24dc-15
0.538
PET-UNK-b1ef24dc-13
0.529
EDJ-MED-94fddcec-3
0.524
PET-UNK-b78139fa-6
0.519
PET-UNK-b1ef24dc-14
0.519
PET-UNK-ee8352fa-5
0.519
PET-UNK-329a9ce9-8
0.487
PET-UNK-7279c968-9
0.486
EDJ-MED-f9b78f78-2
0.482
PET-UNK-b78139fa-7
0.477
BEN-DND-f06bfa8e-4
0.473
PET-UNK-a7639856-3
0.471
PET-UNK-b78139fa-5
0.459
PET-UNK-158bee2a-11
0.456
PET-UNK-158bee2a-12
0.455
PET-UNK-19e211a9-6
0.452
PET-UNK-e9bc7c59-9
0.447
EDJ-MED-dd2a8363-2
0.445
EDJ-MED-f9b78f78-1
0.442
PET-UNK-329a9ce9-2
0.441
MIC-UNK-8758c41d-1
0.440
PET-UNK-b78139fa-2
0.439
PET-UNK-b78139fa-3
0.439
PET-UNK-329a9ce9-3
0.437
PET-UNK-e9bc7c59-1
0.437
PET-UNK-158bee2a-10
0.437
PET-UNK-022eab87-1
0.435
PET-UNK-e9bc7c59-12
0.432
PET-UNK-b38839dc-4
0.431
EDJ-MED-d9f3798e-2
0.429
PET-UNK-e9bc7c59-2
0.429
PET-UNK-7bb24635-2
0.425
PET-UNK-b78139fa-8
0.423
TET-ENA-382364b7-1
0.422
EDJ-MED-f9b78f78-5
0.422
PET-UNK-b78139fa-9
0.422
PET-UNK-158bee2a-9
0.422
BEN-DND-c852c98b-5
0.421
ERI-UCB-8d4e5055-4
0.421
MAT-POS-7ddaf7de-2
0.417
PET-UNK-064639eb-4
0.417
ERI-UCB-8d4e5055-3
0.417
PET-UNK-064639eb-1
0.417
ALF-EVA-5b152d2f-3
0.414
ALP-POS-a577c8a2-2
0.412
EDG-MED-5d232de5-1
0.411
ALP-POS-696356e4-1
0.411
EDG-MED-5d232de5-2
0.411
ALP-POS-ce760d3f-7
0.411
PET-UNK-e9bc7c59-4
0.410
BEN-DND-d6f8d3c6-1
0.407
EDJ-MED-e18764cb-2
0.407
MAT-POS-af1eef35-3
0.407
ALP-POS-a577c8a2-1
0.407
DAR-DIA-0f2f46c9-13
0.407
DAR-DIA-0f2f46c9-14
0.407
RAL-THA-b9d6aec1-1
0.407
PET-UNK-b38839dc-10
0.407
RUB-POS-1325a9ea-10
0.405