Molecular Properties | |
SMILES: | CS(=O)(=O)CCO[C@@]1(C(=O)Nc2cncc3ccccc23)CNC(=O)c2ccc(Cl)cc21 |
MW: | 473.08 |
Fraction sp3: | 0.23 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 114.46 |
cLogP: | 2.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
PET-UNK-ad758083-3
0.849
ALP-POS-f1807566-3
0.719
PET-UNK-0d6841fa-4
0.654
PET-UNK-4880b143-1
0.611
MAT-POS-22e8b45a-2
0.588
RAL-THA-176e263b-4
0.588
PET-UNK-0d6841fa-6
0.587
MAT-POS-22e8b45a-3
0.587
PET-UNK-407a74a5-3
0.587
RAL-THA-176e263b-1
0.587
PET-UNK-0d6841fa-5
0.586
PET-UNK-0d6841fa-1
0.582
PET-UNK-407a74a5-8
0.578
JOH-UNI-e398da21-1
0.577
PET-UNK-0d6841fa-2
0.557
PET-UNK-ad758083-4
0.554
PET-UNK-e9bc7c59-7
0.549
PET-UNK-f9b7ae87-5
0.541
PET-UNK-3bb57da2-1
0.541
PET-UNK-fe31e24a-4
0.536
PET-UNK-fe31e24a-3
0.536
PET-UNK-f9b7ae87-6
0.532
PET-UNK-5d7c542f-4
0.531
PET-UNK-5d7c542f-3
0.530
PET-UNK-5d7c542f-5
0.530
PET-UNK-b38839dc-28
0.518
PET-UNK-f9b7ae87-8
0.518
PET-UNK-b38839dc-29
0.518
PET-UNK-3bb57da2-3
0.518
PET-UNK-ad758083-1
0.518
PET-UNK-e9bc7c59-8
0.517
PET-UNK-0cc03aae-4
0.517
MIC-UNK-e8d6fb58-1
0.514
PET-UNK-0d6841fa-7
0.513
PET-UNK-0cc03aae-3
0.513
RAL-THA-58fba2bc-4
0.509
ED_-GRI-5b13fbe2-72
0.509
MAT-POS-c7771779-2
0.505
MAT-POS-89e65850-1
0.505
PET-UNK-824b5c6a-2
0.504
PET-UNK-4d432d33-4
0.504
PET-UNK-4d432d33-8
0.504
PET-UNK-4d432d33-3
0.504
PET-UNK-4d432d33-7
0.504
PET-UNK-e9bc7c59-9
0.504
ED_-GRI-5b13fbe2-62
0.500
EDJ-MED-015fb6b4-1
0.500
PET-UNK-ad758083-2
0.500
PET-UNK-f9b7ae87-9
0.500
PET-UNK-f360ae44-6
0.500
PET-UNK-f360ae44-15
0.500
ED_-GRI-5b13fbe2-48
0.500
PET-UNK-f360ae44-7
0.500
PET-UNK-f360ae44-14
0.500
PET-UNK-0cc03aae-1
0.500
PET-UNK-e5587e5d-1
0.496
EDG-MED-4c68219f-16
0.496
PET-UNK-f9b7ae87-7
0.496
EDG-MED-4c68219f-10
0.496
PET-UNK-3bb57da2-2
0.491
PET-UNK-ad758083-5
0.491
PET-UNK-824b5c6a-1
0.491
PET-UNK-9bf1291a-1
0.491
MIC-UNK-ea4eb352-2
0.491
ALP-POS-5290f14d-1
0.491
MAT-POS-d8472c4f-3
0.491
PET-UNK-1b92fa34-5
0.491
MIC-UNK-ea4eb352-3
0.491
PET-UNK-f360ae44-16
0.488
PET-UNK-f360ae44-8
0.488
ED_-GRI-5b13fbe2-29
0.487
ED_-GRI-5b13fbe2-33
0.487
PET-UNK-3bb57da2-4
0.487
PET-UNK-49566573-1
0.487
MAT-POS-f9802937-1
0.486
PET-UNK-f360ae44-3
0.484
PET-UNK-f360ae44-11
0.484
PET-UNK-f360ae44-13
0.484
PET-UNK-f360ae44-5
0.484
MIC-UNK-ddc6ad53-2
0.483
EDJ-MED-15e90dfc-7
0.483
PET-UNK-bcc8fd08-4
0.483
PET-UNK-f360ae44-2
0.480
PET-UNK-f360ae44-10
0.480
ED_-GRI-5b13fbe2-39
0.479
MIC-UNK-ddc6ad53-3
0.479
PET-UNK-0cc03aae-5
0.479
PET-UNK-f9b7ae87-2
0.477
PET-UNK-1abb40f2-1
0.477
PET-UNK-1abb40f2-3
0.477
CHO-MSK-5891c1ff-3
0.475
PET-UNK-f360ae44-9
0.475
PET-UNK-f360ae44-1
0.475
PET-UNK-0cc03aae-2
0.475
ED_-GRI-5b13fbe2-30
0.475
PET-UNK-757f8bc8-3
0.475
EDJ-MED-6d9ff7d0-9
0.474
MIC-UNK-5d22d78d-1
0.474
RAL-THA-e002e396-1
0.474
PET-UNK-f9b7ae87-4
0.473