Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)N1CCN(S(=O)(=O)c2ccsc2)CC1 |
MW: | 366.468 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 82.61 |
cLogP: | 1.98992 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Hetero_hetero
MAK-UNK-7264f48c-4
0.716
MAK-UNK-7264f48c-3
0.697
MAK-UNK-7264f48c-6
0.641
MAK-UNK-7264f48c-1
0.605
SCO-VAN-260d9628-1
0.597
ALE-HEI-f28a35b5-17
0.597
MAK-UNK-7264f48c-2
0.556
MAK-UNK-4c6b313a-1
0.515
MAK-UNK-6435e6c2-11
0.515
MAK-UNK-6435e6c2-10
0.515
SAD-SAT-bc31ec01-9
0.486
MAK-UNK-10dfa458-18
0.479
MAK-UNK-10dfa458-46
0.452
MAT-POS-ee51dedd-2
0.452
MAK-UNK-902cc841-17
0.442
AAR-POS-d2a4d1df-3
0.431
MAK-UNK-6435e6c2-8
0.431
MIH-UNI-6b9ca91a-1
0.410
NAU-LAT-3f5f3993-5
0.402
BEN-DND-6de5dfa0-3
0.402
BEN-DND-09b88bf4-3
0.402
EDJ-MED-3c65e9ce-1
0.400
BEN-DND-6de5dfa0-10
0.400
BEN-DND-93268d01-8
0.400
ANU-UNK-2781581f-1
0.389
RED-SAT-26a928c9-1
0.389
MAT-POS-590ac91e-18
0.385
MIH-UNI-6b9ca91a-2
0.385
MAK-UNK-902cc841-15
0.382
MAT-POS-590ac91e-13
0.382
BEN-DND-6de5dfa0-1
0.381
BEN-DND-03406596-7
0.381
BEN-DND-09b88bf4-2
0.381
PET-SGC-a3e47117-1
0.380
NAU-LAT-3f5f3993-10
0.380
NAU-LAT-3f5f3993-2
0.378
DAR-DIA-6a508060-12
0.375
BEN-DND-93268d01-11
0.375
BEN-DND-93268d01-9
0.375
MAT-POS-590ac91e-23
0.375
BEN-DND-09b88bf4-5
0.375
MAK-UNK-6ca90168-26
0.375
MAT-POS-590ac91e-27
0.373
MAT-POS-590ac91e-29
0.369
ERI-UCB-5b47150d-4
0.368
BEN-DND-6de5dfa0-6
0.368
MAT-POS-590ac91e-6
0.367
ASH-UNK-40b46b30-16
0.367
NIR-THE-b7e8e081-1
0.365
PET-SGC-a8a902d9-1
0.365
BEN-DND-22e6b372-1
0.364
ALE-HEI-f28a35b5-12
0.364
MAK-UNK-6ca90168-27
0.361
BEN-DND-6de5dfa0-7
0.360
BEN-DND-6de5dfa0-16
0.360
NIR-THE-b7e8e081-2
0.360
BEN-DND-09b88bf4-6
0.360
MAT-POS-590ac91e-2
0.360
ERI-UCB-5b47150d-1
0.360
MAT-POS-590ac91e-1
0.360
DAR-DIA-0cde14eb-69
0.360
GAB-REV-70cc3ca5-21
0.358
MAK-UNK-372b0df5-3
0.357
SHA-LIV-041af2c0-1
0.357
BEN-DND-6de5dfa0-14
0.356
MAT-POS-590ac91e-4
0.354
BEN-DND-93268d01-10
0.354
DAR-DIA-0cde14eb-67
0.352
BEN-DND-09b88bf4-8
0.352
BEN-DND-6de5dfa0-2
0.352
BEN-DND-09b88bf4-1
0.352
BEN-DND-6de5dfa0-12
0.351
MAT-POS-590ac91e-19
0.350
PET-SGC-6e7c5dc0-1
0.350
SIM-DEM-163f01e0-1
0.350
MAT-POS-590ac91e-21
0.349
BEN-DND-6de5dfa0-4
0.349
BEN-DND-22e6b372-3
0.349
BEN-DND-09b88bf4-4
0.349
PED-UNI-292b67d6-1
0.348
CHR-SOS-1f323c23-12
0.348
MAT-POS-590ac91e-11
0.346
ERI-UCB-5b47150d-6
0.346
MAT-POS-590ac91e-9
0.346
GAB-REV-70cc3ca5-20
0.345
EDJ-MED-3c65e9ce-4
0.345
DAN-RED-da448e80-17
0.344
ASH-UNK-40b46b30-11
0.344
CHR-SOS-1f323c23-6
0.344
ASH-SAT-43770c7d-9
0.342
MAT-POS-5d20d11c-1
0.342
MAT-POS-590ac91e-16
0.342
MAT-POS-590ac91e-22
0.341
BEN-DND-93268d01-4
0.341
BEN-DND-22e6b372-4
0.341
DAR-DIA-0cde14eb-65
0.341
BEN-DND-22e6b372-2
0.341
DAR-DIA-0cde14eb-68
0.341
CHR-SOS-1f323c23-9
0.340
MAT-POS-590ac91e-24
0.337