Molecular Properties | |
SMILES: | NC(=O)CN1Cc2ccc(Cl)cc2[C@]2(C1)NC(=O)N(c1cncc3ccccc13)C2=O |
MW: | 435.11 |
Fraction sp3: | 0.18 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 108.63 |
cLogP: | 2.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
VLA-MRT-8c78ee15-4
1.000
VLA-MRT-8c78ee15-3
0.854
MAT-POS-ddfe83c6-4
0.854
VLA-MRT-a639d434-1
0.854
MAT-POS-c2d406ed-1
0.602
MIK-ENA-f156d06e-1
0.602
VLA-MRT-a639d434-3
0.582
VLA-MRT-8c78ee15-2
0.582
VLA-MRT-8c78ee15-1
0.582
JOH-MSK-4bb3d434-3
0.581
PET-UNK-eeb64427-2
0.570
PET-UNK-eeb64427-5
0.570
MAT-POS-ddfe83c6-3
0.566
VLA-UNK-83c3754c-1
0.545
VLA-UNK-70dd90ef-4
0.545
VLA-UNK-70dd90ef-1
0.530
PET-UNK-94036022-7
0.528
PET-UNK-94036022-14
0.528
JOH-MSK-1f2dff76-1
0.528
JOH-MSK-1f2dff76-2
0.528
MAT-POS-1bed62cf-3
0.528
MAT-POS-ddfe83c6-5
0.523
PET-UNK-eeb64427-4
0.523
PET-UNK-eeb64427-1
0.523
PET-UNK-eeb64427-3
0.523
PET-UNK-eeb64427-6
0.523
VLA-UCB-29506327-1
0.520
VLA-UNK-cf7facf1-1
0.520
VLA-UCB-34f3ed0c-11
0.520
MIC-UNK-eb20c3e1-1
0.518
EDJ-MED-24007d8a-1
0.514
MAT-POS-ddfe83c6-2
0.505
LUO-POS-e1dab717-19
0.500
LUO-POS-f7b1afe6-3
0.495
VLA-UNK-70dd90ef-2
0.495
MAT-POS-c2d406ed-3
0.492
EDJ-MED-8bb691af-4
0.491
MAT-POS-c7726e07-5
0.491
LUO-POS-868e8996-11
0.491
MAT-POS-c7726e07-6
0.491
LUO-POS-868e8996-12
0.491
JOH-MSK-ccc6e4c0-1
0.487
MAT-POS-50a80394-7
0.486
MAT-POS-50a80394-5
0.486
LUO-POS-f7b1afe6-4
0.486
VLA-UNK-3a43cd95-2
0.486
EDJ-MED-3af0740c-6
0.483
MIK-ENA-1494235a-1
0.478
MIK-ENA-4ed700b1-1
0.478
MAT-POS-e75f6e44-1
0.478
MIK-ENA-4a1c9a78-1
0.478
EDJ-MED-8bb691af-3
0.477
EDJ-MED-8bb691af-1
0.477
MAT-POS-e75f6e44-3
0.474
LUO-POS-5857a86a-4
0.474
MAT-POS-50a80394-4
0.473
LUO-POS-e1dab717-18
0.473
YVE-CNR-7d92d73e-1
0.472
EDJ-MED-3af0740c-7
0.471
EDJ-MED-6b23330e-4
0.470
MAT-POS-e75f6e44-17
0.470
MAT-POS-69786b79-3
0.470
ALP-POS-133e7cd9-1
0.469
MAT-POS-e75f6e44-15
0.466
MAT-POS-566864e2-2
0.466
BRU-THA-ae0174a8-1
0.466
MAT-POS-566864e2-1
0.466
ALP-POS-ecbed2ba-12
0.466
ALP-POS-ecbed2ba-14
0.466
MAT-POS-69786b79-2
0.466
MAT-POS-e75f6e44-5
0.466
LUO-POS-e1dab717-17
0.465
EDJ-MED-3af0740c-8
0.463
VLA-UNK-3a43cd95-1
0.463
MAT-POS-e75f6e44-4
0.462
EDJ-MED-6b23330e-7
0.462
EDJ-MED-6b23330e-1
0.462
EDJ-MED-6b23330e-2
0.462
EDJ-MED-6b23330e-5
0.462
MAT-POS-e75f6e44-2
0.462
MAT-POS-e75f6e44-20
0.458
JOH-MSK-51c67e7d-1
0.458
JOH-MSK-51c67e7d-2
0.458
PET-UNK-4c71d490-1
0.458
PET-UNK-4c71d490-5
0.458
MAT-POS-e75f6e44-7
0.458
VLA-UNK-c65c1026-4
0.457
MAT-POS-50a80394-6
0.457
MAT-POS-e75f6e44-6
0.454
MAT-POS-e75f6e44-12
0.454
MAT-POS-e75f6e44-13
0.454
MAT-POS-69786b79-4
0.454
EDJ-MED-6b23330e-6
0.454
MAT-POS-e75f6e44-19
0.454
VLA-UNK-56836b69-2
0.453
VLA-UNK-56836b69-5
0.453
EDJ-MED-33064c06-16
0.450
MAT-POS-e75f6e44-10
0.450
MAT-POS-e75f6e44-11
0.450
MAT-POS-e75f6e44-14
0.450