Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cnsc23)CCS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 423.01 |
Fraction sp3: | 0.24 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 98.25 |
cLogP: | 3.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-ab76d8f6-2
0.656
PET-UNK-ab76d8f6-5
0.656
PET-UNK-4b4f2bb7-4
0.638
EDJ-MED-211392e3-1
0.638
MIC-UNK-ea4eb352-1
0.638
PET-UNK-4b4f2bb7-9
0.638
PET-UNK-4b4f2bb7-5
0.635
ALP-POS-6f6ae286-2
0.635
PET-UNK-4b4f2bb7-6
0.632
PET-UNK-4b4f2bb7-8
0.632
PET-UNK-4b4f2bb7-3
0.629
PET-UNK-0df12184-3
0.628
PET-UNK-4b4f2bb7-7
0.625
PET-UNK-4b4f2bb7-1
0.625
PET-UNK-ab76d8f6-1
0.616
PET-UNK-ab76d8f6-6
0.611
PET-UNK-7bb24635-1
0.606
PET-UNK-7bb24635-3
0.606
PET-UNK-4b4f2bb7-2
0.606
PET-UNK-b38839dc-30
0.604
EDJ-MED-211392e3-2
0.600
PET-UNK-7bb24635-2
0.594
PET-UNK-ab76d8f6-3
0.588
EDJ-MED-211392e3-3
0.577
PET-UNK-09a29654-5
0.571
PET-UNK-09a29654-4
0.571
PET-UNK-09a29654-6
0.556
PET-UNK-c65ea24c-16
0.554
PET-UNK-c65ea24c-4
0.544
PET-UNK-c65ea24c-10
0.523
PET-UNK-b78139fa-14
0.500
PET-UNK-b78139fa-13
0.500
PET-UNK-b1ef24dc-14
0.495
PET-UNK-b78139fa-10
0.490
PET-UNK-b78139fa-18
0.490
PET-UNK-022eab87-2
0.490
PET-UNK-ad758083-5
0.486
PET-UNK-b78139fa-12
0.485
PET-UNK-b78139fa-16
0.485
PET-UNK-b78139fa-17
0.485
PET-UNK-b78139fa-15
0.480
PET-UNK-b1ef24dc-22
0.470
PET-UNK-b78139fa-11
0.467
MIC-UNK-ea4eb352-5
0.462
PET-UNK-0d6841fa-5
0.460
MIC-UNK-ea4eb352-9
0.454
EDJ-MED-70ab3faf-1
0.429
PET-UNK-b1ef24dc-2
0.421
MAR-UCB-fd2e172f-25
0.421
PET-UNK-b1ef24dc-18
0.415
PET-UNK-6e612674-1
0.414
PET-UNK-6e612674-9
0.414
PET-UNK-6e612674-2
0.411
PET-UNK-6e612674-10
0.411
PET-UNK-6e612674-13
0.407
PET-UNK-6e612674-5
0.407
EDJ-MED-70ab3faf-2
0.405
PET-UNK-1abb40f2-3
0.404
PET-UNK-6e612674-14
0.404
PET-UNK-407a74a5-16
0.404
PET-UNK-1abb40f2-1
0.404
PET-UNK-6e612674-6
0.404
PET-UNK-407a74a5-11
0.402
PET-UNK-407a74a5-1
0.400
EDJ-MED-70ab3faf-3
0.400
PET-UNK-407a74a5-6
0.398
PET-UNK-1abb40f2-2
0.396
PET-UNK-1abb40f2-4
0.396
PET-UNK-0df12184-4
0.394
PET-UNK-b1ef24dc-10
0.393
PET-UNK-b1ef24dc-6
0.393
PET-UNK-0df12184-1
0.391
PET-UNK-b1ef24dc-26
0.387
PET-UNK-b1ef24dc-34
0.387
MAR-UCB-fd2e172f-20
0.387
PET-UNK-6e612674-11
0.383
PET-UNK-6e612674-3
0.383
PET-UNK-5d7c542f-1
0.381
ALP-POS-6f6ae286-3
0.381
MAR-UCB-fd2e172f-21
0.376
PET-UNK-6e612674-12
0.376
PET-UNK-6e612674-4
0.376
PET-UNK-6e612674-7
0.376
PET-UNK-6e612674-15
0.376
JOH-UNI-6e27fddc-1
0.375
PET-UNK-c0891748-3
0.375
PET-UNK-c0891748-9
0.375
PET-UNK-b1ef24dc-30
0.374
PET-UNK-ee8352fa-3
0.374
MIC-UNK-7f86385f-1
0.373
MIC-UNK-ea4eb352-4
0.373
MIC-UNK-54748b58-2
0.370
EDJ-MED-d08626de-1
0.369
EDG-MED-0e5afe9d-3
0.369
PET-UNK-c761fc18-5
0.369
EDJ-MED-d08626de-2
0.369
PET-UNK-29afea89-2
0.369
PET-UNK-f4e47ebd-19
0.368
PET-UNK-5ad1c31a-3
0.367
PET-UNK-6e612674-8
0.367