Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3occc23)CCS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 406.04 |
Fraction sp3: | 0.22 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 98.5 |
cLogP: | 3.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
MIC-UNK-ea4eb352-1
ALP-POS-f1807566-3
EDJ-MED-00c1612e-1
ADA-UCB-6c2cb422-1
PET-UNK-7f7e354d-7
MAT-POS-4223bc15-2
JIN-POS-6dc588a4-22
PET-UNK-88d26eaf-1
MAT-POS-24589f88-3
PET-UNK-29afea89-2
MAR-UCB-fd2e172f-41
PET-UNK-9bf1291a-1
MIC-UNK-91acba05-1
MAT-POS-b3e365b9-1
EDJ-MED-b7309adf-2
MIC-UNK-91acba05-3
JIN-POS-6dc588a4-11
PET-UNK-ab76d8f6-3
0.730
PET-UNK-ab76d8f6-6
0.663
MIC-UNK-ea4eb352-1
0.656
PET-UNK-ab76d8f6-2
0.656
EDJ-MED-211392e3-1
0.656
PET-UNK-4b4f2bb7-9
0.656
PET-UNK-4b4f2bb7-8
0.649
PET-UNK-4b4f2bb7-6
0.649
PET-UNK-4b4f2bb7-7
0.642
MAR-UCB-fd2e172f-41
0.641
PET-UNK-b38839dc-18
0.641
PET-UNK-ab76d8f6-5
0.638
PET-UNK-4b4f2bb7-5
0.635
ALP-POS-6f6ae286-2
0.635
PET-UNK-4b4f2bb7-3
0.629
PET-UNK-7bb24635-2
0.626
PET-UNK-4b4f2bb7-2
0.622
PET-UNK-7bb24635-1
0.622
PET-UNK-7bb24635-3
0.622
PET-UNK-ab76d8f6-1
0.616
EDJ-MED-211392e3-2
0.616
PET-UNK-ab76d8f6-4
0.604
EDJ-MED-211392e3-3
0.592
PET-UNK-4b4f2bb7-1
0.592
PET-UNK-4b4f2bb7-4
0.588
PET-UNK-09a29654-5
0.587
PET-UNK-09a29654-4
0.587
PET-UNK-81b485b5-5
0.582
PET-UNK-81b485b5-19
0.582
PET-UNK-09a29654-6
0.570
PET-UNK-f9b7ae87-4
0.556
PET-UNK-b38839dc-27
0.556
PET-UNK-b38839dc-21
0.534
PET-UNK-b38839dc-24
0.514
PET-UNK-ad758083-5
0.500
PET-UNK-b78139fa-18
0.490
PET-UNK-022eab87-2
0.490
PET-UNK-b78139fa-14
0.485
PET-UNK-b78139fa-16
0.485
PET-UNK-b78139fa-17
0.485
PET-UNK-b78139fa-15
0.480
MIC-UNK-ea4eb352-5
0.476
PET-UNK-b38839dc-15
0.475
PET-UNK-0d6841fa-5
0.473
PET-UNK-b78139fa-12
0.471
MIC-UNK-ea4eb352-9
0.467
PET-UNK-b78139fa-11
0.467
PET-UNK-0df12184-2
0.466
PET-UNK-b78139fa-10
0.448
PET-UNK-b78139fa-13
0.442
EDJ-MED-70ab3faf-1
0.442
MAR-UCB-fd2e172f-13
0.440
MAR-UCB-fd2e172f-25
0.434
PET-UNK-6e612674-14
0.430
PET-UNK-6e612674-6
0.430
PET-UNK-6e612674-2
0.425
PET-UNK-6e612674-10
0.425
PET-UNK-1abb40f2-4
0.422
PET-UNK-1abb40f2-2
0.422
PET-UNK-7f7e354d-7
0.421
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-70ab3faf-2
0.418
MIC-UNK-54748b58-2
0.417
PET-UNK-0df12184-1
0.417
PET-UNK-1abb40f2-1
0.417
PET-UNK-1abb40f2-3
0.417
MAT-POS-96f51285-2
0.414
EDJ-MED-611d11e7-1
0.414
PET-UNK-6e612674-1
0.414
PET-UNK-6e612674-9
0.414
MAR-UCB-fd2e172f-31
0.413
EDJ-MED-70ab3faf-3
0.412
PET-UNK-ee8352fa-3
0.411
EDJ-MED-d08626de-1
0.407
PET-UNK-29afea89-2
0.407
EDG-MED-0e5afe9d-3
0.407
EDJ-MED-d08626de-2
0.407
MAT-POS-24589f88-1
0.405
EDJ-MED-611d11e7-7
0.405
PET-UNK-5d7c542f-1
0.405
MAT-POS-96f51285-1
0.405
ALP-POS-6f6ae286-3
0.405
EDJ-MED-611d11e7-4
0.404
MAT-POS-ec6d90b7-4
0.404
PET-UNK-f4e47ebd-17
0.404
EDJ-MED-611d11e7-10
0.404
MAT-POS-a5ef2d74-2
0.404
MAT-POS-a5ef2d74-3
0.404
MAR-UCB-fd2e172f-21
0.402
PET-UNK-6e612674-15
0.400
PET-UNK-407a74a5-1
0.400
EDJ-MED-6bf93aa8-1
0.400
PET-UNK-6e612674-7
0.400
PET-UNK-ee8352fa-2
0.398
MAR-UCB-fd2e172f-28
0.398
PET-UNK-407a74a5-6
0.398
MIC-UNK-7f86385f-1
0.397