Molecular Properties | |
SMILES: | CC(=O)NCCN1CCC(CNS(C)(=O)=O)(CC(=O)Nc2cnccc2C)CC1 |
MW: | 425.555 |
Fraction sp3: | 0.63 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 9 |
TPSA: | 120.5 |
cLogP: | 0.486120000000002 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Hetero_hetero
MAT-POS-590ac91e-6
0.487
MAT-POS-590ac91e-9
0.446
BEN-DND-09b88bf4-3
0.416
BEN-DND-6de5dfa0-3
0.416
NAU-LAT-3f5f3993-5
0.416
MAT-POS-590ac91e-15
0.414
SIM-DEM-2d7ee9fd-1
0.412
BEN-DND-09b88bf4-5
0.407
BEN-DND-93268d01-9
0.407
BEN-DND-93268d01-10
0.402
BEN-DND-6de5dfa0-6
0.398
EDJ-MED-3c65e9ce-1
0.398
BEN-DND-93268d01-8
0.398
MAT-POS-590ac91e-25
0.396
MAK-UNK-6ca90168-26
0.392
BEN-DND-93268d01-11
0.391
ASH-UNK-40b46b30-11
0.389
BEN-DND-6de5dfa0-14
0.387
MAK-UNK-7264f48c-3
0.386
BEN-DND-6de5dfa0-5
0.385
BEN-DND-6de5dfa0-15
0.383
BEN-DND-6de5dfa0-1
0.380
BEN-DND-09b88bf4-2
0.380
BEN-DND-03406596-7
0.380
BEN-DND-22e6b372-3
0.380
NAU-LAT-3f5f3993-10
0.380
EDJ-MED-3c65e9ce-4
0.378
NIR-THE-b7e8e081-2
0.376
BEN-DND-6de5dfa0-16
0.376
DOU-UNK-b5326f8f-18
0.375
BEN-DND-22e6b372-4
0.374
CHR-SOS-e960e883-6
0.373
BEN-DND-22e6b372-2
0.372
BEN-DND-93268d01-6
0.372
CHR-SOS-e960e883-4
0.371
MAT-POS-590ac91e-24
0.371
AAR-POS-d2a4d1df-3
0.368
MAK-UNK-6435e6c2-8
0.368
PET-SGC-d5b502b1-1
0.367
WIL-WAB-6ef46ddb-1
0.367
RAL-THA-6b94ceba-12
0.367
BEN-DND-6de5dfa0-8
0.367
BEN-DND-09b88bf4-4
0.366
BEN-DND-6de5dfa0-4
0.366
NIR-THE-b7e8e081-1
0.366
CHR-SOS-e960e883-5
0.365
ALE-HEI-f28a35b5-12
0.365
ALE-HEI-f28a35b5-13
0.365
SIM-DEM-f31d0e65-1
0.365
NAU-LAT-0543f7f2-2
0.362
BEN-DND-6de5dfa0-7
0.362
ALP-POS-f13221e1-4
0.362
BEN-DND-09b88bf4-6
0.362
ASH-SAT-43770c7d-9
0.361
GAB-REV-70cc3ca5-21
0.360
MAK-UNK-372b0df5-3
0.359
MIH-UNI-6b9ca91a-3
0.356
BEN-DND-09b88bf4-8
0.354
GAB-REV-70cc3ca5-3
0.354
MAK-UNK-372b0df5-1
0.354
ERI-UCB-5b47150d-4
0.353
MAK-UNK-7264f48c-4
0.353
DAR-DIA-0cde14eb-61
0.351
DAR-DIA-0cde14eb-64
0.351
BEN-DND-22e6b372-1
0.351
MAK-UNK-7264f48c-5
0.350
PET-SGC-6016d8e6-1
0.349
MAT-POS-590ac91e-11
0.349
PET-SGC-1c3a473d-1
0.349
MAT-POS-590ac91e-7
0.348
BEN-DND-93268d01-5
0.348
GAB-REV-70cc3ca5-20
0.348
DAR-DIA-0cde14eb-62
0.347
DAR-DIA-0cde14eb-2
0.347
DAR-DIA-0cde14eb-63
0.347
DAN-RED-da448e80-17
0.347
ANU-UNK-2781581f-1
0.347
RED-SAT-26a928c9-1
0.347
PET-SGC-05cff2e1-1
0.345
NAU-LAT-0543f7f2-4
0.345
MAT-POS-590ac91e-23
0.344
EDG-MED-0da5ad92-4
0.344
ALE-HEI-f28a35b5-6
0.344
TRY-UNI-714a760b-10
0.344
BEN-DND-93268d01-4
0.344
ALP-POS-95b75b4d-1
0.344
DAN-RED-da448e80-9
0.343
RAL-THA-6b94ceba-5
0.343
DAR-DIA-0cde14eb-4
0.343
BEN-DND-6de5dfa0-9
0.343
SAD-SAT-7d5528d9-1
0.343
NAU-LAT-0543f7f2-1
0.343
JAN-GHE-83b26c96-11
0.341
TRY-UNI-714a760b-5
0.341
ALE-HEI-f28a35b5-17
0.341
SCO-VAN-260d9628-1
0.341
MAT-POS-590ac91e-10
0.341
WIL-MOD-03b86a88-5
0.340
BEN-DND-6de5dfa0-2
0.340
BEN-DND-09b88bf4-1
0.340