Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3oncc23)CCS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 407.03 |
Fraction sp3: | 0.24 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 111.39 |
cLogP: | 2.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-b38839dc-30
0.730
PET-UNK-4b4f2bb7-6
0.667
PET-UNK-ab76d8f6-6
0.663
EDJ-MED-211392e3-1
0.656
PET-UNK-4b4f2bb7-9
0.656
MIC-UNK-ea4eb352-1
0.656
PET-UNK-ab76d8f6-5
0.656
PET-UNK-ab76d8f6-2
0.656
PET-UNK-4b4f2bb7-8
0.649
PET-UNK-4b4f2bb7-7
0.642
PET-UNK-0df12184-2
0.641
PET-UNK-7bb24635-1
0.639
ALP-POS-6f6ae286-2
0.635
PET-UNK-4b4f2bb7-5
0.635
PET-UNK-4b4f2bb7-3
0.629
PET-UNK-4b4f2bb7-2
0.622
PET-UNK-7bb24635-3
0.622
EDJ-MED-211392e3-2
0.616
PET-UNK-ab76d8f6-1
0.616
PET-UNK-7bb24635-2
0.610
EDJ-MED-211392e3-3
0.608
PET-UNK-09a29654-4
0.602
PET-UNK-09a29654-5
0.602
PET-UNK-ab76d8f6-4
0.588
PET-UNK-4b4f2bb7-4
0.588
PET-UNK-4b4f2bb7-1
0.576
PET-UNK-09a29654-6
0.570
PET-UNK-c65ea24c-15
0.556
PET-UNK-c65ea24c-3
0.545
PET-UNK-b78139fa-16
0.531
PET-UNK-c65ea24c-9
0.524
PET-UNK-022eab87-2
0.520
PET-UNK-b78139fa-18
0.520
PET-UNK-b78139fa-17
0.515
PET-UNK-b78139fa-14
0.515
PET-UNK-ad758083-5
0.514
PET-UNK-b78139fa-15
0.510
PET-UNK-b78139fa-12
0.500
PET-UNK-b78139fa-11
0.495
PET-UNK-0d6841fa-5
0.486
PET-UNK-b1ef24dc-15
0.485
MIC-UNK-ea4eb352-9
0.481
MIC-UNK-ea4eb352-5
0.476
PET-UNK-b78139fa-13
0.471
PET-UNK-b38839dc-18
0.466
MAR-UCB-fd2e172f-41
0.466
PET-UNK-b1ef24dc-23
0.465
PET-UNK-b78139fa-10
0.462
PET-UNK-b1ef24dc-3
0.447
MAR-UCB-fd2e172f-13
0.440
PET-UNK-6e612674-2
0.438
PET-UNK-6e612674-10
0.438
PET-UNK-1abb40f2-1
0.430
PET-UNK-6e612674-6
0.430
PET-UNK-1abb40f2-3
0.430
PET-UNK-6e612674-14
0.430
EDJ-MED-70ab3faf-1
0.429
PET-UNK-6e612674-1
0.427
PET-UNK-6e612674-9
0.427
PET-UNK-c0891748-3
0.426
PET-UNK-c0891748-9
0.426
PET-UNK-1abb40f2-2
0.422
PET-UNK-1abb40f2-4
0.422
PET-UNK-81b485b5-5
0.422
PET-UNK-81b485b5-19
0.422
PET-UNK-0df12184-5
0.421
MAR-UCB-fd2e172f-24
0.421
PET-UNK-6e612674-5
0.420
PET-UNK-6e612674-13
0.420
EDJ-MED-611d11e7-4
0.417
PET-UNK-0df12184-1
0.417
MAT-POS-a5ef2d74-2
0.417
MAT-POS-ec6d90b7-4
0.417
ALF-EVA-82cf4849-4
0.413
EDJ-MED-70ab3faf-3
0.412
PET-UNK-6e612674-4
0.412
PET-UNK-6e612674-12
0.412
PET-UNK-b1ef24dc-19
0.411
MAR-UCB-fd2e172f-28
0.411
PET-UNK-ee8352fa-3
0.411
PET-UNK-29afea89-2
0.407
EDG-MED-0e5afe9d-3
0.407
EDJ-MED-d08626de-1
0.407
EDJ-MED-d08626de-2
0.407
PET-UNK-0df12184-4
0.407
PET-UNK-6e612674-3
0.407
PET-UNK-6e612674-11
0.407
EDJ-MED-70ab3faf-2
0.405
MAT-POS-24589f88-1
0.405
ALP-POS-6f6ae286-3
0.405
PET-UNK-5d7c542f-1
0.405
EDJ-MED-611d11e7-7
0.405
MAT-POS-96f51285-1
0.405
PET-UNK-ee8352fa-1
0.405
MAT-POS-a5ef2d74-3
0.404
PET-UNK-f4e47ebd-17
0.404
EDJ-MED-611d11e7-10
0.404
EDJ-MED-611d11e7-1
0.402
MAT-POS-96f51285-2
0.402
PET-UNK-6e612674-8
0.402