Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccc(F)cc12)[C@@H]1CCS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 404.04 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 76.13 |
cLogP: | 3.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-2c6614b6-7
0.771
PET-UNK-2c6614b6-5
0.762
EDJ-MED-b7309adf-1
0.762
MAT-POS-86c60949-1
0.762
MAT-POS-66a736cf-1
0.744
MIC-UNK-91acba05-3
0.744
LUO-POS-868e8996-14
0.744
LUO-POS-868e8996-13
0.744
EDJ-MED-93390d0c-1
0.736
PET-UNK-7bb24635-4
0.736
PET-UNK-b78139fa-7
0.735
PET-UNK-2c6614b6-8
0.718
EDJ-MED-b7309adf-2
0.711
BEN-DND-f06bfa8e-5
0.711
EDJ-MED-d9f3798e-3
0.703
PET-UNK-7bb24635-5
0.700
PET-UNK-2c6614b6-9
0.694
PET-UNK-b38839dc-16
0.692
PET-UNK-09a29654-1
0.688
EDJ-MED-94fddcec-2
0.682
PET-UNK-2c6614b6-2
0.670
PET-UNK-7bb24635-6
0.670
PET-UNK-09a29654-2
0.670
BEN-DND-0ac71396-1
0.667
PET-UNK-b38839dc-17
0.663
PET-UNK-2c6614b6-3
0.652
PET-UNK-09a29654-3
0.649
ALP-POS-6f6ae286-7
0.648
EDG-MED-f9979214-2
0.648
BEN-DND-0ac71396-2
0.645
EDJ-MED-93390d0c-2
0.641
PET-UNK-b1ef24dc-15
0.640
EDG-MED-f9979214-1
0.638
PET-UNK-b38839dc-15
0.629
PET-UNK-b1ef24dc-16
0.629
PET-UNK-7f7e354d-3
0.622
EDG-MED-5d232de5-1
0.618
ALP-POS-696356e4-1
0.618
ALP-POS-ce760d3f-7
0.618
EDG-MED-5d232de5-2
0.618
PET-UNK-b1ef24dc-13
0.611
EDJ-MED-94fddcec-1
0.608
EDJ-MED-94fddcec-3
0.604
PET-UNK-2c6614b6-4
0.598
PET-UNK-b1ef24dc-14
0.598
PET-UNK-2c6614b6-1
0.585
MAR-UCB-6ab2ec87-5
0.584
PET-UNK-1b92fa34-2
0.564
PET-UNK-b78139fa-6
0.548
PET-UNK-b78139fa-5
0.543
BEN-DND-f06bfa8e-4
0.542
EDJ-MED-611d11e7-6
0.537
MAT-POS-ec6d90b7-7
0.537
MAT-POS-96f51285-5
0.537
PET-UNK-022eab87-1
0.533
MIC-UNK-8758c41d-1
0.521
MAT-POS-ec6d90b7-5
0.521
EDJ-MED-611d11e7-5
0.521
ALP-UNI-8d415491-6
0.521
PET-UNK-b78139fa-8
0.516
PET-UNK-03fd2068-3
0.515
EDJ-MED-841e0cf0-5
0.515
EDJ-MED-670ad2ee-6
0.515
EDJ-MED-670ad2ee-5
0.515
PET-UNK-162c14b2-2
0.515
PET-UNK-158bee2a-12
0.511
PET-UNK-158bee2a-11
0.511
EDJ-MED-dd2a8363-2
0.510
PET-UNK-158bee2a-10
0.506
PET-UNK-1b92fa34-4
0.505
EDJ-MED-841e0cf0-7
0.500
EDJ-MED-670ad2ee-9
0.500
EDJ-MED-670ad2ee-10
0.500
MAT-POS-e119ab4f-2
0.500
MAT-POS-c7726e07-3
0.500
MAT-POS-c7726e07-4
0.500
EDJ-MED-841e0cf0-6
0.495
EDJ-MED-670ad2ee-8
0.495
EDJ-MED-670ad2ee-7
0.495
PET-UNK-4b4f2bb7-6
0.495
PET-UNK-b78139fa-16
0.490
ALF-EVA-5b152d2f-3
0.490
EDJ-MED-009f762b-3
0.486
MAT-POS-61f37a1a-5
0.486
EDJ-MED-009f762b-1
0.486
MAT-POS-24589f88-16
0.486
PET-UNK-b78139fa-2
0.485
ALP-POS-a577c8a2-2
0.485
BEN-DND-c852c98b-4
0.485
EDJ-MED-ba7e64f2-1
0.485
PET-UNK-b78139fa-9
0.484
PET-UNK-158bee2a-9
0.484
ALF-EVA-ced740bd-3
0.484
EDJ-MED-009f762b-5
0.481
ALP-POS-a577c8a2-1
0.480
EDJ-MED-e18764cb-2
0.480
MAT-POS-af1eef35-3
0.480
BEN-DND-d6f8d3c6-1
0.480
BEN-DND-c852c98b-2
0.476
PET-UNK-064639eb-1
0.475