Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccc(F)cc23)CS(=O)(=O)Cc2ccc(Cl)cc21 |
MW: | 434.05 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 85.36 |
cLogP: | 3.44 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
PET-UNK-1b92fa34-5
0.779
PET-UNK-b566c0b0-2
0.767
PET-UNK-1b92fa34-8
0.764
PET-UNK-b566c0b0-1
0.764
PET-UNK-329a9ce9-5
0.742
PET-UNK-329a9ce9-6
0.734
PET-UNK-b566c0b0-6
0.730
PET-UNK-b566c0b0-5
0.700
PET-UNK-b566c0b0-3
0.699
PET-UNK-329a9ce9-7
0.698
PET-UNK-b566c0b0-4
0.677
PET-UNK-329a9ce9-8
0.670
PET-UNK-b78139fa-16
0.667
MAT-POS-a5ef2d74-2
0.628
EDJ-MED-611d11e7-4
0.628
MAT-POS-ec6d90b7-4
0.628
PET-UNK-c761fc18-8
0.621
PET-UNK-9bf1291a-2
0.615
EDJ-MED-841e0cf0-3
0.612
EDJ-MED-670ad2ee-3
0.612
EDJ-MED-923a35c2-5
0.612
PET-UNK-c761fc18-4
0.608
PET-UNK-1b92fa34-7
0.602
PET-UNK-0d6841fa-7
0.600
PET-UNK-b566c0b0-8
0.588
PET-UNK-4b4f2bb7-6
0.582
PET-UNK-9bf1291a-4
0.578
PET-UNK-0d6841fa-6
0.573
PET-UNK-bcc8fd08-5
0.543
PET-UNK-03fd2068-7
0.535
PET-UNK-03fd2068-10
0.533
PET-UNK-407a74a5-7
0.515
PET-UNK-bcc8fd08-2
0.515
PET-UNK-b78139fa-15
0.510
MAT-POS-c88128cb-12
0.510
PET-UNK-022eab87-2
0.505
PET-UNK-ee8352fa-1
0.500
PET-UNK-49566573-3
0.500
PET-UNK-407a74a5-17
0.500
PET-UNK-b78139fa-14
0.500
PET-UNK-c0891748-3
0.495
PET-UNK-c0891748-9
0.495
PET-UNK-1b92fa34-2
0.495
ALF-EVA-82cf4849-11
0.491
ALP-POS-93b3621f-3
0.486
EDJ-MED-611d11e7-7
0.486
MAT-POS-96f51285-1
0.486
MAT-POS-24589f88-1
0.486
FRA-DIA-6238d354-1
0.481
EDJ-MED-923a35c2-1
0.481
EDJ-MED-611d11e7-1
0.481
MAT-POS-96f51285-2
0.481
ALF-EVA-82cf4849-4
0.481
PET-UNK-a7639856-1
0.477
PET-UNK-29afea89-2
0.476
EDJ-MED-d08626de-2
0.476
EDG-MED-0e5afe9d-3
0.476
EDJ-MED-d08626de-1
0.476
PET-UNK-407a74a5-2
0.476
ALF-EVA-82cf4849-13
0.473
ALP-POS-6f6ae286-3
0.472
PET-UNK-5d7c542f-1
0.472
PET-UNK-9bf1291a-1
0.472
MIC-UNK-ea4eb352-2
0.472
ALP-POS-5290f14d-1
0.472
PET-UNK-9bf1291a-3
0.471
PET-UNK-b78139fa-17
0.471
ALF-EVA-82cf4849-8
0.468
PET-UNK-407a74a5-12
0.467
ALF-EVA-82cf4849-12
0.464
PET-UNK-03fd2068-9
0.464
EDG-MED-10fcb19e-1
0.464
EDG-MED-10fcb19e-3
0.464
PET-UNK-81b485b5-1
0.462
PET-UNK-81b485b5-15
0.462
MAR-UCB-6ab2ec87-3
0.461
PET-UNK-81b485b5-12
0.459
PET-UNK-81b485b5-26
0.459
PET-UNK-7bb24635-1
0.459
EDJ-MED-b1cef252-1
0.458
MAT-POS-83a7b0a0-1
0.458
MAT-POS-89bd6af1-4
0.458
PET-UNK-1b92fa34-4
0.457
PET-UNK-49566573-4
0.457
EDG-MED-10fcb19e-5
0.455
PET-UNK-88d26eaf-1
0.455
EDJ-MED-cf877e1d-2
0.455
EDJ-MED-923a35c2-4
0.454
PET-UNK-b38839dc-19
0.454
PET-UNK-b78139fa-11
0.453
MAT-POS-f9802937-1
0.453
PET-UNK-81b485b5-25
0.452
PET-UNK-81b485b5-11
0.452
MIC-UNK-ea4eb352-4
0.452
PET-UNK-fe31e24a-4
0.450
PET-UNK-ee8352fa-2
0.450
PET-UNK-9bf1291a-5
0.450
EDJ-MED-b2a1399d-3
0.449
PET-UNK-b566c0b0-9
0.447
PET-UNK-81b485b5-9
0.447