Molecular Properties | |
SMILES: | CC(=O)N1CCN(C(CCNS(C)(=O)=O)C(=O)Nc2cnccc2C)CC1 |
MW: | 397.18 |
Fraction sp3: | 0.59 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 111.71 |
cLogP: | -0.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Hetero_hetero
BEN-DND-93268d01-8
BEN-DND-6de5dfa0-10
0.554
MAK-UNK-902cc841-15
0.500
MAK-UNK-902cc841-17
0.477
BEN-DND-93268d01-8
0.456
EDJ-MED-3c65e9ce-1
0.456
VLA-UCB-05e51b3f-2
0.456
NAU-LAT-a5c7d7cb-3
0.456
DAN-RED-da448e80-17
0.442
MAT-POS-590ac91e-5
0.436
DAN-RED-da448e80-1
0.430
PED-UNI-8d53fd73-1
0.430
PED-UNI-5b7f1100-1
0.430
SIM-DEM-f31d0e65-1
0.430
DRE-WAB-eb790b7a-1
0.430
ASH-UNK-40b46b30-11
0.425
DAN-RED-da448e80-5
0.420
DAN-RED-da448e80-9
0.420
TRY-UNI-1fd04853-3
0.415
NAU-LAT-3f5f3993-2
0.415
DAN-RED-da448e80-13
0.411
MAT-POS-590ac91e-13
0.403
BEN-DND-6de5dfa0-6
0.402
MAT-POS-590ac91e-1
0.400
ERI-UCB-5b47150d-1
0.400
MAT-POS-590ac91e-2
0.400
BEN-DND-22e6b372-1
0.398
MAK-UNK-6ca90168-26
0.397
SCO-VAN-260d9628-1
0.392
ALE-HEI-f28a35b5-17
0.392
AAR-POS-d2a4d1df-3
0.391
MAK-UNK-6435e6c2-8
0.391
BEN-DND-6de5dfa0-3
0.388
NAU-LAT-3f5f3993-5
0.388
BEN-DND-09b88bf4-3
0.388
ALE-HEI-f28a35b5-13
0.385
BEN-DND-6de5dfa0-12
0.383
BEN-DND-93268d01-14
0.381
MAK-UNK-7264f48c-5
0.380
SIM-DEM-163f01e0-1
0.380
MAT-POS-5d20d11c-1
0.380
MAT-POS-590ac91e-16
0.380
NIR-THE-b7e8e081-2
0.379
BEN-DND-6de5dfa0-16
0.379
ABI-SAT-4d06482b-1
0.378
MAT-POS-590ac91e-14
0.376
MAK-UNK-7264f48c-3
0.375
BEN-DND-93268d01-3
0.373
WIL-WAB-6ef46ddb-1
0.370
PET-SGC-d5b502b1-1
0.370
MAK-UNK-372b0df5-1
0.370
TRY-UNI-714a760b-16
0.369
ALE-HEI-f28a35b5-11
0.369
MAK-UNK-7264f48c-4
0.368
NIR-THE-b7e8e081-1
0.368
BEN-DND-09b88bf4-2
0.368
BEN-DND-03406596-7
0.368
BEN-DND-6de5dfa0-1
0.368
IND-SYN-2c708b29-2
0.366
TRY-UNI-714a760b-17
0.366
MAT-POS-590ac91e-7
0.366
AHN-SAT-202241f6-1
0.366
MAK-UNK-7264f48c-6
0.365
ASH-SAT-43770c7d-9
0.364
BEN-DND-09b88bf4-6
0.364
BEN-DND-6de5dfa0-7
0.364
BEN-DND-93268d01-11
0.361
BEN-DND-93268d01-9
0.361
BEN-DND-09b88bf4-5
0.361
MAK-UNK-372b0df5-3
0.360
BEN-DND-22e6b372-2
0.360
MIH-UNI-6b9ca91a-2
0.358
BEN-DND-6de5dfa0-26
0.357
BEN-DND-93268d01-10
0.357
BEN-DND-93268d01-2
0.356
BEN-DND-09b88bf4-8
0.356
BEN-DND-6de5dfa0-15
0.356
RAL-THA-6b94ceba-12
0.355
ERI-UCB-5b47150d-4
0.354
SAM-UNK-2684b532-10
0.354
MAT-POS-590ac91e-6
0.354
BEN-DND-22e6b372-3
0.352
NAU-LAT-3f5f3993-1
0.351
MAT-POS-590ac91e-11
0.350
ALE-HEI-f28a35b5-12
0.350
NAU-LAT-0543f7f2-2
0.350
ALE-HEI-f28a35b5-7
0.349
TRY-UNI-714a760b-11
0.349
MAT-POS-590ac91e-9
0.349
EDJ-MED-3c65e9ce-4
0.349
EDG-MED-0da5ad92-5
0.348
DAR-DIA-0cde14eb-70
0.348
MAK-UNK-6ca90168-27
0.347
TRY-UNI-9f475305-5
0.347
PET-SGC-01d224dd-1
0.347
NAU-LAT-0543f7f2-4
0.346
MAT-POS-590ac91e-23
0.345
TRY-UNI-2eddb1ff-3
0.345
BEN-DND-22e6b372-4
0.345
BEN-DND-6de5dfa0-14
0.344
BAR-COM-0f94fc3d-19
0.344