Molecular Properties | |
SMILES: | CCN1C(=O)N(c2cncc3ccccc23)C(=O)C12CN(C1(C(=O)NC)CC1)Cc1ccc(Cl)cc12 |
MW: | 503.17 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 85.85 |
cLogP: | 3.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
MAT-POS-50a80394-2
EDJ-MED-24007d8a-1
0.745
EDJ-MED-cbbe2dbb-3
0.698
EDJ-MED-dbcb2afb-1
0.667
EDJ-MED-3af0740c-8
0.638
MIC-UNK-eb20c3e1-4
0.636
LUO-POS-5857a86a-3
0.631
MIC-UNK-7b6fe9e8-1
0.612
EDJ-MED-cbbe2dbb-1
0.612
EDJ-MED-a6bd6de0-1
0.591
EDJ-MED-b0f3342b-1
0.591
EDJ-MED-cbbe2dbb-4
0.583
ALP-POS-ecbed2ba-7
0.580
LUO-POS-e1dab717-1
0.580
MAT-POS-69786b79-1
0.580
MAT-POS-576f7758-1
0.580
MAT-POS-566864e2-4
0.580
MAT-POS-566864e2-3
0.580
LUO-POS-5857a86a-4
0.575
MAT-POS-ddfe83c6-5
0.571
LUO-POS-e1dab717-13
0.552
ALP-POS-c3a90b22-2
0.543
EDJ-MED-cbbe2dbb-2
0.524
EDJ-MED-3af0740c-4
0.519
ALP-POS-c3a90b22-4
0.517
ALP-POS-c3a90b22-10
0.516
MIC-UNK-eb20c3e1-1
0.513
EDJ-MED-3af0740c-6
0.504
MAT-POS-2e8b2191-8
0.500
EDJ-MED-7587a9ee-1
0.500
EDJ-MED-3af0740c-7
0.492
PET-UNK-eeb64427-4
0.492
PET-UNK-eeb64427-1
0.492
MAT-POS-ddfe83c6-2
0.487
LUO-POS-e1dab717-3
0.487
VLA-MRT-8c78ee15-3
0.483
PET-UNK-94036022-7
0.483
PET-UNK-94036022-14
0.483
JOH-MSK-1f2dff76-1
0.483
JOH-MSK-1f2dff76-2
0.483
MAT-POS-ddfe83c6-4
0.483
MAT-POS-1bed62cf-3
0.483
VLA-MRT-a639d434-1
0.483
EDJ-MED-59d5ca70-2
0.480
PET-UNK-eeb64427-3
0.479
PET-UNK-eeb64427-6
0.479
EDJ-MED-8bb691af-4
0.475
MAT-POS-c7726e07-5
0.475
LUO-POS-868e8996-11
0.475
MAT-POS-c7726e07-6
0.475
LUO-POS-868e8996-12
0.475
PET-UNK-eeb64427-2
0.471
PET-UNK-eeb64427-5
0.471
MIC-UNK-7b6fe9e8-2
0.468
MAT-POS-c2d406ed-2
0.468
LUO-POS-f7b1afe6-3
0.466
PET-UNK-4c71d490-4
0.464
PET-UNK-4c71d490-8
0.464
JOH-MSK-949975c8-1
0.464
ALP-POS-c3a90b22-6
0.459
MAT-POS-50a80394-7
0.458
MAT-POS-50a80394-4
0.458
LUO-POS-f7b1afe6-4
0.458
PET-UNK-14142a25-9
0.456
PET-UNK-14142a25-18
0.456
EDJ-MED-976a33d5-3
0.455
MAT-POS-ddfe83c6-3
0.455
ALP-POS-133e7cd9-1
0.455
LUO-POS-e1dab717-5
0.449
VLA-UNK-83c3754c-2
0.447
MAT-POS-50a80394-5
0.446
PET-UNK-4c71d490-2
0.445
PET-UNK-4c71d490-6
0.445
LUO-POS-e1dab717-9
0.445
BEN-BAS-c2bc0d80-7
0.444
JOH-MSK-51c67e7d-2
0.443
JOH-MSK-51c67e7d-1
0.443
LUO-POS-ed2cfb03-2
0.442
VLA-UNK-f702bf1c-2
0.441
VLA-UNK-f702bf1c-6
0.441
VLA-UCB-34f3ed0c-14
0.441
MAT-POS-e48723dc-2
0.440
MIK-ENA-4a1c9a78-1
0.440
LUO-POS-e1dab717-2
0.440
EDJ-MED-976a33d5-1
0.440
MAT-POS-576f7758-2
0.440
MAT-POS-e48723dc-1
0.440
MIK-ENA-1494235a-1
0.440
MIK-ENA-4ed700b1-1
0.440
LUO-POS-e1dab717-17
0.439
EDJ-MED-40e596c8-1
0.439
EDJ-MED-8bb691af-3
0.438
VLA-UNK-f702bf1c-3
0.438
EDJ-MED-8bb691af-1
0.437
PET-UNK-4c71d490-3
0.437
PET-UNK-4c71d490-7
0.437
MIC-UNK-eb20c3e1-2
0.437
EDJ-MED-fd8ed875-4
0.435
LUO-POS-e1dab717-18
0.434
LUO-POS-e1dab717-7
0.434
VLA-MRT-a639d434-2
0.433