Molecular Properties | |
SMILES: | O=S1(=O)NCC(CNc2cncc3ccccc23)c2cc(Cl)ccc21 |
MW: | 373.07 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 71.09 |
cLogP: | 3.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
EDJ-MED-e18764cb-2
0.548
ALP-POS-a577c8a2-1
0.548
MAT-POS-af1eef35-3
0.548
BEN-DND-d6f8d3c6-1
0.548
ALP-POS-1460fd94-3
0.500
PET-UNK-022eab87-1
0.429
BEN-DND-11faade0-1
0.423
MIC-UNK-91acba05-3
0.420
MAT-POS-66a736cf-1
0.420
LUO-POS-868e8996-13
0.420
LUO-POS-868e8996-14
0.420
ALP-POS-a577c8a2-2
0.417
PET-UNK-5ad1c31a-2
0.417
PET-UNK-5ad1c31a-8
0.417
MAR-UCB-6ab2ec87-1
0.414
EDJ-MED-f9b78f78-5
0.414
ROB-UNI-322e8f70-2
0.412
ALP-POS-1cbc2fae-2
0.410
ALP-POS-1cbc2fae-1
0.404
MAT-POS-806462de-1
0.404
MAT-POS-806462de-2
0.404
PET-UNK-5ad1c31a-1
0.404
PET-UNK-5ad1c31a-7
0.404
MIC-UNK-91acba05-1
0.402
MAT-POS-22e8b45a-1
0.402
LUO-POS-ba0d8665-1
0.402
ROB-UNI-322e8f70-3
0.402
MAT-POS-865c3497-1
0.402
MAT-POS-865c3497-2
0.402
BEN-BAS-c2bc0d80-1
0.400
DAR-DIA-70d163b2-3
0.400
PET-UNK-1abb40f2-1
0.396
PET-UNK-1abb40f2-3
0.396
ROB-UNI-322e8f70-1
0.396
BEN-DND-f2e727cd-5
0.392
MAT-POS-d8472c4f-5
0.392
MAT-POS-3ccb8ef6-1
0.392
MAT-POS-3ccb8ef6-2
0.392
EDJ-MED-f9b78f78-3
0.390
MIC-UNK-54748b58-1
0.387
PET-UNK-c0891748-4
0.385
PET-UNK-c0891748-10
0.385
PET-UNK-1b92fa34-1
0.385
EDJ-MED-f9b78f78-1
0.383
MIC-UNK-482af05e-3
0.382
MAT-POS-dd3ad2b5-1
0.381
BEN-DND-f2e727cd-6
0.381
MAT-POS-bbbbc21a-2
0.380
EDJ-MED-12c115cc-2
0.380
EDJ-MED-12c115cc-1
0.380
MAT-POS-f7918075-2
0.380
PET-UNK-dd44aeb6-2
0.379
RAL-THA-2d450e86-24
0.379
MAR-UCB-6ab2ec87-6
0.379
MAT-POS-fb82b63d-1
0.379
BEN-DND-f2e727cd-4
0.379
ALP-UNI-c3ef0aba-2
0.379
DAR-DIA-70d163b2-2
0.379
MIC-UNK-89b52b17-5
0.378
EDJ-MED-2791eece-4
0.378
BEN-BAS-5c03e89e-2
0.377
BEN-BAS-5c03e89e-1
0.377
RAL-THA-4aa06b95-1
0.377
PET-UNK-4d432d33-1
0.376
PET-UNK-4d432d33-5
0.376
EDJ-MED-92e193ae-1
0.375
ALP-POS-477dc5b7-2
0.375
MIC-UNK-45817b9b-1
0.375
EDJ-MED-92e193ae-2
0.375
MIC-UNK-91acba05-5
0.375
MAT-POS-43c25e9b-2
0.375
MAT-POS-e2d70d27-1
0.375
EDJ-MED-a6bd50ad-1
0.375
MAT-POS-43c25e9b-1
0.375
MAK-UNK-8be7dca9-3
0.374
EDJ-MED-f9b78f78-6
0.374
ALP-POS-a577c8a2-3
0.373
DAR-DIA-4987d2cd-4
0.373
MAT-POS-4223bc15-27
0.373
MIC-UNK-482af05e-4
0.373
MAR-UCB-6ab2ec87-2
0.373
EDJ-MED-d9f3798e-2
0.372
MAT-POS-22e8b45a-4
0.371
MIC-UNK-91acba05-6
0.371
RAL-THA-8416115c-2
0.371
ADA-UCB-dc2b944c-15
0.371
EDJ-MED-eb111c00-1
0.371
EDG-MED-5d232de5-6
0.371
EDG-MED-5d232de5-5
0.371
MAT-POS-777f5926-1
0.371
MIC-UNK-91acba05-2
0.371
DAR-DIA-0d514e7d-3
0.371
MAT-POS-4223bc15-14
0.371
RAL-THA-c9f97604-2
0.370
PET-UNK-f860268d-2
0.370
PET-UNK-f860268d-5
0.370
DAR-DIA-4987d2cd-3
0.369
BRU-THA-d60fe444-1
0.369
BEN-BAS-c2bc0d80-2
0.369
DAR-DIA-2964957d-1
0.368