Molecular Properties | |
SMILES: | CNC(=O)c1ccc2cncc(NC(=O)[C@@H]3CN([C@@H](C(=O)NC)C(C)C)Cc4ccccc43)c2c1 |
MW: | 473.24 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 103.43 |
cLogP: | 2.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-fa51d92c-10
0.860
BEN-DND-fa51d92c-11
0.758
BEN-DND-fa51d92c-18
0.747
BEN-DND-fa51d92c-21
0.737
BEN-DND-fa51d92c-1
0.721
BEN-DND-fa51d92c-20
0.670
BEN-DND-fa51d92c-19
0.657
BEN-DND-fa51d92c-9
0.642
BEN-DND-fa51d92c-22
0.627
BEN-DND-f6031113-17
0.611
BEN-DND-fa51d92c-16
0.604
BEN-DND-f6031113-10
0.577
BEN-DND-fa51d92c-7
0.573
BEN-DND-fa51d92c-6
0.562
BEN-DND-fa51d92c-12
0.562
DAR-DIA-d8bd013f-8
0.555
DAR-DIA-d8bd013f-7
0.555
BEN-DND-fa51d92c-3
0.538
BEN-DND-fa51d92c-23
0.537
BEN-DND-f6031113-11
0.535
BEN-DND-f6031113-2
0.521
BEN-DND-fa51d92c-8
0.513
BEN-DND-fa51d92c-14
0.491
BEN-DND-fa51d92c-13
0.483
BEN-DND-fa51d92c-4
0.475
DAR-DIA-d8bd013f-5
0.470
DAR-DIA-d8bd013f-6
0.470
BEN-DND-fa51d92c-5
0.467
EDJ-MED-378a25ea-2
0.464
MAT-POS-78ab8081-4
0.464
MAT-POS-78ab8081-3
0.460
MAT-POS-5c19d660-3
0.460
EDJ-MED-54fbebd8-2
0.446
BEN-DND-f6031113-18
0.446
BEN-DND-fa51d92c-24
0.439
BEN-DND-fa51d92c-15
0.437
EDJ-MED-54fbebd8-1
0.430
DAR-DIA-d8bd013f-3
0.420
DAR-DIA-d8bd013f-1
0.420
MAT-POS-5cd9ea36-14
0.420
BEN-DND-fa51d92c-2
0.419
BEN-DND-f6031113-9
0.419
BEN-DND-f6031113-21
0.419
EDJ-MED-139368ae-5
0.419
EDJ-MED-139368ae-3
0.415
EDJ-MED-28cccd0c-2
0.412
EDJ-MED-54fbebd8-4
0.410
EDJ-MED-139368ae-2
0.409
EDJ-MED-28cccd0c-4
0.408
EDJ-MED-54fbebd8-3
0.402
DAR-DIA-d8bd013f-4
0.402
EDJ-MED-c82a5324-1
0.402
DAR-DIA-d8bd013f-2
0.402
EDJ-MED-54fbebd8-5
0.400
DAR-DIA-d8bd013f-9
0.398
DAR-DIA-d8bd013f-10
0.398
EDJ-MED-28cccd0c-3
0.398
EDJ-MED-28cccd0c-1
0.395
EDJ-MED-139368ae-4
0.395
JOH-UNI-6b98e24c-2
0.393
EDJ-MED-139368ae-1
0.392
BEN-DND-f6031113-22
0.392
PET-UNK-9b23ef84-2
0.388
MAT-POS-dd3ad2b5-2
0.388
BEN-DND-f6031113-12
0.386
MAT-POS-90fd5f68-20
0.385
BEN-DND-f6031113-20
0.384
MAT-POS-4223bc15-18
0.381
DAR-DIA-d8bd013f-11
0.381
DAR-DIA-d8bd013f-12
0.381
BEN-DND-f6031113-1
0.379
MAT-POS-dd3ad2b5-5
0.378
BEN-DND-f6031113-19
0.378
EDJ-MED-378a25ea-19
0.375
DAR-DIA-d8bd013f-13
0.372
DAR-DIA-d8bd013f-14
0.372
PET-UNK-9b23ef84-3
0.370
EDJ-MED-378a25ea-32
0.367
FRA-DIA-6238d354-2
0.367
MAT-POS-4223bc15-19
0.364
RAL-THA-6e4c80cf-1
0.364
MAT-POS-2e8b2191-10
0.364
EDJ-MED-841e0cf0-5
0.361
EDJ-MED-670ad2ee-6
0.361
EDJ-MED-670ad2ee-10
0.361
EDJ-MED-841e0cf0-7
0.361
EDJ-MED-670ad2ee-5
0.361
EDJ-MED-670ad2ee-9
0.361
MAT-POS-97ec4bd1-3
0.359
BEN-DND-f6031113-7
0.359
PET-UNK-03fd2068-3
0.358
EDJ-MED-841e0cf0-6
0.358
EDJ-MED-670ad2ee-7
0.358
EDJ-MED-670ad2ee-8
0.358
BEN-DND-f6031113-23
0.358
MAK-UNK-8be7dca9-7
0.356
BEN-DND-a02b439d-11
0.355
MAT-POS-4223bc15-33
0.355
BEN-DND-f6031113-6
0.354
EDJ-MED-378a25ea-8
0.353