Molecular Properties | |
SMILES: | CS(=O)(=O)CCO[C@@]1(C(=O)Nc2cncc3ccccc23)CCS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 508.05 |
Fraction sp3: | 0.27 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 119.5 |
cLogP: | 2.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Long aliphatic chain
PET-UNK-ad758083-5
0.840
EDJ-MED-211392e3-1
0.719
MIC-UNK-ea4eb352-1
0.719
PET-UNK-4880b143-1
0.642
PET-UNK-0d6841fa-6
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PET-UNK-022eab87-2
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EDJ-MED-70ab3faf-1
0.610
PET-UNK-0d6841fa-1
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PET-UNK-0d6841fa-3
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PET-UNK-0d6841fa-4
0.580
PET-UNK-407a74a5-6
0.573
PET-UNK-0d6841fa-2
0.570
EDJ-MED-211392e3-2
0.569
PET-UNK-4b4f2bb7-6
0.566
PET-UNK-5d7c542f-4
0.559
PET-UNK-5d7c542f-3
0.558
PET-UNK-407a74a5-1
0.557
PET-UNK-3bb57da2-1
0.555
MIC-UNK-ea4eb352-5
0.552
PET-UNK-1abb40f2-3
0.547
PET-UNK-1abb40f2-1
0.547
PET-UNK-09a29654-4
0.544
PET-UNK-4b4f2bb7-9
0.542
ALP-POS-6f6ae286-2
0.541
PET-UNK-4b4f2bb7-5
0.541
MIC-UNK-ea4eb352-9
0.541
PET-UNK-ab76d8f6-1
0.541
PET-UNK-0d6841fa-7
0.541
PET-UNK-4b4f2bb7-8
0.537
PET-UNK-1abb40f2-2
0.537
PET-UNK-1abb40f2-4
0.537
EDJ-MED-211392e3-3
0.535
PET-UNK-4b4f2bb7-7
0.532
PET-UNK-7bb24635-1
0.532
PET-UNK-3bb57da2-3
0.532
PET-UNK-ad758083-1
0.531
PET-UNK-5d7c542f-5
0.530
PET-UNK-0cc03aae-3
0.526
PET-UNK-824b5c6a-2
0.518
PET-UNK-4b4f2bb7-2
0.518
PET-UNK-09a29654-5
0.517
PET-UNK-0cc03aae-4
0.517
MIC-UNK-54748b58-2
0.513
PET-UNK-ad758083-2
0.513
ED_-GRI-5b13fbe2-72
0.509
RAL-THA-58fba2bc-4
0.509
EDG-MED-4c68219f-10
0.509
EDG-MED-4c68219f-16
0.509
EDJ-MED-15e90dfc-7
0.509
PET-UNK-e5587e5d-1
0.509
PET-UNK-5ad1c31a-3
0.509
PET-UNK-5ad1c31a-4
0.509
PET-UNK-5ad1c31a-9
0.509
PET-UNK-5ad1c31a-10
0.509
PET-UNK-1b92fa34-5
0.505
PET-UNK-824b5c6a-1
0.505
PET-UNK-7bb24635-3
0.504
PET-UNK-3bb57da2-2
0.504
PET-UNK-09a29654-6
0.504
ED_-GRI-5b13fbe2-48
0.500
PET-UNK-49566573-1
0.500
PET-UNK-0cc03aae-1
0.500
ED_-GRI-5b13fbe2-29
0.500
PET-UNK-c0891748-3
0.500
PET-UNK-c0891748-9
0.500
MIC-UNK-ddc6ad53-2
0.496
PET-UNK-7bb24635-2
0.496
PET-UNK-ad758083-3
0.496
PET-UNK-4b4f2bb7-3
0.496
PET-UNK-d9de6a0b-2
0.492
PET-UNK-0cc03aae-5
0.491
MIC-UNK-ddc6ad53-3
0.491
PET-UNK-9bf1291a-1
0.491
ALP-POS-5290f14d-1
0.491
MIC-UNK-ea4eb352-2
0.491
ED_-GRI-5b13fbe2-8
0.488
ED_-GRI-5b13fbe2-33
0.487
PET-UNK-3bb57da2-4
0.487
EDG-MED-4c68219f-15
0.487
ED_-GRI-5b13fbe2-59
0.487
PET-UNK-0cc03aae-2
0.487
ED_-GRI-5b13fbe2-30
0.487
MIC-UNK-5d22d78d-2
0.487
LUO-POS-e3baa4d7-1
0.487
MAT-POS-c88128cb-3
0.487
PET-UNK-ad758083-4
0.487
PET-UNK-ab76d8f6-3
0.486
ALP-POS-1cbc2fae-1
0.486
MAT-POS-806462de-1
0.486
MAT-POS-83f73d0a-3
0.486
MAT-POS-806462de-2
0.486
EDJ-MED-6d9ff7d0-10
0.483
ED_-GRI-5b13fbe2-68
0.483
RAL-THA-58fba2bc-2
0.482
EDG-MED-4c68219f-6
0.482
EDG-MED-4c68219f-12
0.482
MIC-UNK-ddc6ad53-1
0.482
EDJ-MED-d08626de-2
0.482
EDJ-MED-d08626de-1
0.482
PET-UNK-29afea89-2
0.482