Molecular Properties | |
SMILES: | CNC(=O)[C@@H](C(C)O)N1Cc2ccccc2[C@H](C(=O)Nc2cncc3ccc(C(C)(C)O)cc23)C1 |
MW: | 476.24 |
Fraction sp3: | 0.37 |
HBA: | 6 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 114.79 |
cLogP: | 2.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-fa51d92c-18
0.862
BEN-DND-fa51d92c-12
0.752
BEN-DND-fa51d92c-10
0.750
BEN-DND-fa51d92c-22
0.732
BEN-DND-fa51d92c-3
0.717
BEN-DND-fa51d92c-7
0.667
BEN-DND-fa51d92c-6
0.654
BEN-DND-fa51d92c-17
0.642
BEN-DND-f6031113-9
0.633
BEN-DND-fa51d92c-21
0.621
BEN-DND-fa51d92c-8
0.602
BEN-DND-f6031113-18
0.595
BEN-DND-fa51d92c-20
0.568
BEN-DND-fa51d92c-11
0.558
BEN-DND-fa51d92c-19
0.558
DAR-DIA-d8bd013f-6
0.554
DAR-DIA-d8bd013f-5
0.554
BEN-DND-f6031113-12
0.534
BEN-DND-fa51d92c-1
0.534
BEN-DND-fa51d92c-23
0.527
BEN-DND-f6031113-1
0.521
BEN-DND-fa51d92c-16
0.509
MAT-POS-97ec4bd1-3
0.504
MAT-POS-c88128cb-1
0.487
BEN-DND-fa51d92c-14
0.483
BEN-DND-fa51d92c-13
0.475
BEN-DND-fa51d92c-4
0.467
DAR-DIA-d8bd013f-7
0.466
DAR-DIA-d8bd013f-8
0.466
MAT-POS-c88128cb-2
0.464
BEN-DND-f6031113-10
0.463
BEN-DND-fa51d92c-5
0.460
MAT-POS-97ec4bd1-4
0.458
BEN-DND-fa51d92c-24
0.443
MAT-POS-97ec4bd1-2
0.441
MAT-POS-5c19d660-2
0.441
EDJ-MED-54fbebd8-2
0.439
MAT-POS-97ec4bd1-1
0.438
EDJ-MED-54fbebd8-1
0.435
MAT-POS-666635d5-2
0.434
MAT-POS-83f73d0a-1
0.434
BEN-DND-f6031113-22
0.432
MAT-POS-86c60949-2
0.431
BEN-DND-d1eb1f41-10
0.431
BEN-DND-f6031113-17
0.431
BEN-DND-c852c98b-3
0.430
BEN-DND-fa51d92c-15
0.430
EDJ-MED-28cccd0c-2
0.429
EDJ-MED-54fbebd8-5
0.417
EDJ-MED-54fbebd8-4
0.415
DAR-DIA-d8bd013f-1
0.413
MAT-POS-5cd9ea36-14
0.413
DAR-DIA-d8bd013f-3
0.413
BEN-DND-fa51d92c-2
0.413
EDJ-MED-139368ae-5
0.412
EDJ-MED-54fbebd8-3
0.407
EDJ-MED-139368ae-2
0.402
EDJ-MED-28cccd0c-4
0.402
BEN-DND-f6031113-21
0.400
DAR-DIA-d8bd013f-13
0.397
DAR-DIA-d8bd013f-14
0.397
BEN-DND-f6031113-7
0.397
EDJ-MED-139368ae-3
0.397
EDJ-MED-c82a5324-1
0.395
DAR-DIA-d8bd013f-2
0.395
DAR-DIA-d8bd013f-4
0.395
DAR-DIA-d8bd013f-9
0.392
DAR-DIA-d8bd013f-10
0.392
BEN-DND-f6031113-6
0.391
EDJ-MED-28cccd0c-1
0.389
EDJ-MED-139368ae-4
0.388
EDJ-MED-139368ae-1
0.385
BEN-DND-f6031113-11
0.383
EDJ-MED-28cccd0c-3
0.381
JOH-UNI-6b98e24c-2
0.376
BEN-DND-f6031113-2
0.376
DAR-DIA-d8bd013f-11
0.375
DAR-DIA-d8bd013f-12
0.375
BEN-DND-a02b439d-11
0.372
MAT-POS-2e8b2191-10
0.369
EDJ-MED-c4e42105-3
0.369
EDJ-MED-12c4873b-3
0.369
BEN-DND-f6031113-20
0.367
PET-UNK-162c14b2-2
0.366
BEN-DND-f6031113-19
0.362
FRA-DIA-6238d354-2
0.361
MAT-POS-dd3ad2b5-5
0.361
BEN-DND-34fc7f90-8
0.356
BEN-DND-a02b439d-15
0.356
EDJ-MED-841e0cf0-7
0.355
EDJ-MED-670ad2ee-9
0.355
EDJ-MED-670ad2ee-10
0.355
MAT-POS-dd3ad2b5-1
0.353
BEN-DND-f2e727cd-6
0.353
PET-UNK-03fd2068-3
0.352
EDJ-MED-841e0cf0-6
0.352
EDJ-MED-670ad2ee-7
0.352
EDJ-MED-670ad2ee-8
0.352
BEN-DND-f6031113-23
0.352
CLI-TLC-3a13eaf2-1
0.352