Molecular Properties | |
SMILES: | CS(=O)(=O)N1Cc2ccc(Cl)cc2[C@](F)(C(=O)Nc2cncc3ccccc23)C1 |
MW: | 433.07 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 79.37 |
cLogP: | 3.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-6da3dcd8-4
0.802
PET-UNK-6da3dcd8-12
0.750
PET-UNK-6da3dcd8-7
0.716
PET-UNK-6da3dcd8-10
0.708
JOH-UNI-e398da21-2
0.692
MIC-UNK-6e9f8a43-1
0.692
PET-UNK-6da3dcd8-1
0.674
PET-UNK-9bf1291a-1
0.674
MIC-UNK-ea4eb352-2
0.674
ALP-POS-5290f14d-1
0.674
PET-UNK-bcc8fd08-4
0.639
PET-UNK-ad758083-1
0.633
PET-UNK-0d6841fa-1
0.626
PET-UNK-6da3dcd8-14
0.606
PET-UNK-407a74a5-7
0.591
MAT-POS-64942dd0-4
0.588
PET-UNK-757f8bc8-8
0.580
PET-UNK-6da3dcd8-3
0.570
PET-UNK-757f8bc8-7
0.569
EDJ-MED-cf877e1d-2
0.564
PET-UNK-88d26eaf-1
0.564
EDJ-MED-841e0cf0-2
0.559
EDJ-MED-670ad2ee-2
0.559
MIC-UNK-ea4eb352-10
0.559
PET-UNK-757f8bc8-5
0.558
ALP-POS-e266d783-2
0.557
MAT-POS-89bd6af1-3
0.557
MAT-UNK-28cf4d29-1
0.557
EDJ-MED-82bd779b-1
0.552
PET-UNK-757f8bc8-6
0.552
PET-UNK-757f8bc8-3
0.548
MAT-POS-89bd6af1-1
0.547
ALP-POS-c56c1477-4
0.547
PET-UNK-ad758083-2
0.547
PET-UNK-6da3dcd8-17
0.546
EDJ-MED-670ad2ee-3
0.545
EDJ-MED-923a35c2-5
0.545
EDJ-MED-841e0cf0-3
0.545
PET-UNK-757f8bc8-12
0.543
PET-UNK-757f8bc8-4
0.543
PET-UNK-757f8bc8-11
0.542
PET-UNK-407a74a5-8
0.542
PET-UNK-6da3dcd8-20
0.541
PET-UNK-9bf1291a-3
0.541
MIC-UNK-ea4eb352-6
0.540
EDJ-MED-841e0cf0-1
0.540
EDJ-MED-670ad2ee-1
0.540
EDJ-MED-e9a22d5d-2
0.538
PET-UNK-0d6841fa-2
0.537
PET-UNK-407a74a5-6
0.536
ALP-POS-d054b76b-2
0.536
PET-UNK-6da3dcd8-5
0.532
MAT-POS-24589f88-3
0.531
MAT-POS-dd3ad2b5-4
0.531
MAT-POS-24589f88-2
0.531
EDJ-MED-841e0cf0-4
0.530
EDJ-MED-670ad2ee-4
0.530
PET-UNK-9bf1291a-5
0.529
PET-UNK-757f8bc8-2
0.528
PET-UNK-407a74a5-5
0.526
MAT-POS-89bd6af1-4
0.525
EDJ-MED-b1cef252-1
0.525
MAT-POS-83a7b0a0-1
0.525
PET-UNK-bcc8fd08-5
0.524
PET-UNK-6da3dcd8-6
0.523
PET-UNK-757f8bc8-9
0.523
PET-UNK-757f8bc8-1
0.523
PET-UNK-f4e47ebd-24
0.520
EDJ-MED-b1cef252-2
0.518
PET-UNK-757f8bc8-10
0.518
PET-UNK-6da3dcd8-8
0.518
MAT-POS-89bd6af1-2
0.518
MAT-POS-83a7b0a0-2
0.518
PET-UNK-6da3dcd8-11
0.514
PET-UNK-03fd2068-9
0.514
MAT-POS-fb82b63d-2
0.510
PET-UNK-c65ea24c-1
0.509
PET-UNK-6da3dcd8-9
0.509
EDJ-MED-9e38fd34-2
0.505
EDJ-MED-9e38fd34-1
0.505
EDJ-MED-9e38fd34-3
0.505
LUO-POS-433ce175-1
0.505
PET-UNK-f4e47ebd-25
0.505
FRA-DIA-6238d354-1
0.505
EDJ-MED-923a35c2-1
0.505
EDJ-MED-b774e9fe-2
0.500
EDJ-MED-2791eece-6
0.500
PET-UNK-bcc8fd08-6
0.495
PET-UNK-b38839dc-22
0.495
PET-UNK-f4e47ebd-27
0.491
MAT-POS-83f73d0a-3
0.490
MAT-POS-8e4737f4-1
0.490
EDJ-MED-e4b030d8-13
0.490
BEN-DND-a7517465-4
0.490
MAT-POS-c7771779-1
0.490
DAR-DIA-6a508060-10
0.490
PET-UNK-9b23ef84-12
0.486
PET-UNK-9b23ef84-4
0.486
PET-UNK-9b23ef84-8
0.486
MAT-POS-e6dd326d-4
0.486