Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccc(F)cc12)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 390.02 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 76.13 |
cLogP: | 3.54 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-b78139fa-6
0.753
PET-UNK-b78139fa-5
0.744
PET-UNK-022eab87-1
0.738
PET-UNK-2c6614b6-6
0.735
PET-UNK-b78139fa-8
0.711
PET-UNK-b78139fa-9
0.675
PET-UNK-b78139fa-2
0.644
PET-UNK-1b92fa34-2
0.629
PET-UNK-b78139fa-3
0.626
PET-UNK-b1ef24dc-23
0.614
PET-UNK-b1ef24dc-24
0.602
PET-UNK-b1ef24dc-21
0.584
PET-UNK-b1ef24dc-22
0.584
MAR-UCB-6ab2ec87-5
0.580
PET-UNK-b78139fa-4
0.578
PET-UNK-b78139fa-1
0.565
PET-UNK-1b92fa34-4
0.564
EDG-MED-5d232de5-2
0.560
ALP-POS-696356e4-1
0.560
ALP-POS-ce760d3f-7
0.560
EDG-MED-5d232de5-1
0.560
PET-UNK-2c6614b6-7
0.559
EDJ-MED-b7309adf-1
0.553
PET-UNK-2c6614b6-5
0.553
MAT-POS-86c60949-1
0.553
EDJ-MED-93390d0c-1
0.536
PET-UNK-7bb24635-4
0.536
MAT-POS-66a736cf-1
0.533
LUO-POS-868e8996-14
0.533
MIC-UNK-91acba05-3
0.533
LUO-POS-868e8996-13
0.533
EDJ-MED-d9f3798e-3
0.530
PET-UNK-03fd2068-3
0.526
PET-UNK-162c14b2-2
0.525
PET-UNK-2c6614b6-8
0.516
EDJ-MED-670ad2ee-6
0.510
EDJ-MED-841e0cf0-5
0.510
EDJ-MED-670ad2ee-5
0.510
EDJ-MED-670ad2ee-9
0.510
PET-UNK-7bb24635-5
0.510
EDJ-MED-841e0cf0-7
0.510
EDJ-MED-670ad2ee-10
0.510
EDJ-MED-b7309adf-2
0.505
BEN-DND-f06bfa8e-5
0.505
EDJ-MED-841e0cf0-6
0.505
PET-UNK-b38839dc-16
0.505
EDJ-MED-670ad2ee-8
0.505
EDJ-MED-670ad2ee-7
0.505
PET-UNK-09a29654-1
0.505
EDJ-MED-611d11e7-6
0.500
MAT-POS-ec6d90b7-5
0.500
MAT-POS-ec6d90b7-7
0.500
ALP-UNI-8d415491-6
0.500
EDJ-MED-611d11e7-5
0.500
MAT-POS-96f51285-5
0.500
MAT-POS-e119ab4f-2
0.495
MAT-POS-c7726e07-3
0.495
MAT-POS-c7726e07-4
0.495
BEN-DND-0ac71396-1
0.495
PET-UNK-2c6614b6-9
0.495
ALF-EVA-ced740bd-3
0.495
EDJ-MED-009f762b-5
0.490
PET-UNK-09a29654-2
0.490
EDJ-MED-94fddcec-2
0.490
EDJ-MED-e18764cb-2
0.490
BEN-DND-d6f8d3c6-1
0.490
ALP-POS-a577c8a2-1
0.490
MAT-POS-af1eef35-3
0.490
PET-UNK-7bb24635-6
0.485
PET-UNK-2c6614b6-2
0.485
PET-UNK-b78139fa-16
0.485
EDJ-MED-d9f3798e-2
0.481
PET-UNK-b38839dc-17
0.480
ALP-POS-a577c8a2-2
0.480
PET-UNK-09a29654-3
0.477
ROB-UNI-322e8f70-2
0.474
PET-UNK-2c6614b6-3
0.471
PET-UNK-1e13ef09-1
0.470
EDJ-MED-009f762b-3
0.468
MAT-POS-61f37a1a-5
0.468
EDJ-MED-009f762b-1
0.468
MAT-POS-24589f88-16
0.468
MAT-POS-81ae2990-3
0.468
PET-UNK-03fd2068-5
0.466
BEN-DND-0ac71396-2
0.466
MAT-POS-64942dd0-2
0.466
EDG-MED-f9979214-2
0.465
ALP-POS-6f6ae286-7
0.465
MAT-POS-61f37a1a-13
0.464
MAT-POS-b4d6b7fc-9
0.464
EDJ-MED-009f762b-4
0.464
MAT-POS-81ae2990-9
0.464
EDJ-MED-f9b78f78-5
0.463
EDG-MED-f9979214-1
0.462
EDJ-MED-1b5395f9-4
0.461
EDJ-MED-1b5395f9-5
0.461
EDJ-MED-1b5395f9-6
0.461
EDJ-MED-93390d0c-2
0.461
PET-UNK-4b4f2bb7-6
0.461
PET-UNK-b38839dc-15
0.459