Molecular Properties | |
SMILES: | CCN1C(=O)N(c2cncc3ccccc23)C(=O)C12CN(C(=O)CNC)C(=O)c1ccc(Cl)cc12 |
MW: | 491.14 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 102.92 |
cLogP: | 2.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
MAT-POS-50a80394-2
EDJ-MED-dbcb2afb-1
0.713
EDJ-MED-a6bd6de0-1
0.710
EDJ-MED-b0f3342b-1
0.710
EDJ-MED-cbbe2dbb-3
0.667
EDJ-MED-3af0740c-4
0.661
EDJ-MED-cbbe2dbb-2
0.643
EDJ-MED-24007d8a-1
0.618
EDJ-MED-24007d8a-2
0.583
EDJ-MED-3af0740c-8
0.557
EDJ-MED-cbbe2dbb-1
0.533
MIC-UNK-7b6fe9e8-1
0.533
EDJ-MED-3af0740c-5
0.520
MAT-POS-ddfe83c6-5
0.479
MIC-UNK-eb20c3e1-2
0.472
LUO-POS-868e8996-8
0.471
LUO-POS-868e8996-7
0.471
MAT-POS-1bed62cf-2
0.471
JOH-MSK-4bb3d434-3
0.467
LUO-POS-9931618f-1
0.462
PET-UNK-14142a25-1
0.462
MIK-ENA-37e0b697-1
0.462
MIK-ENA-794411b8-1
0.462
LUO-POS-9931618f-2
0.462
EDJ-MED-8bb691af-8
0.462
PET-UNK-14142a25-10
0.462
PET-UNK-4c71d490-3
0.460
PET-UNK-4c71d490-7
0.460
PET-UNK-4c71d490-1
0.456
PET-UNK-4c71d490-5
0.456
12_-111-3e02a1cd-2
0.455
PET-UNK-77d5678a-3
0.455
JOH-MSK-4bb3d434-2
0.455
PET-UNK-77d5678a-6
0.455
PET-UNK-4c71d490-8
0.452
EDJ-MED-33064c06-5
0.452
PET-UNK-4c71d490-4
0.452
EDJ-MED-fed7ac0b-1
0.452
EDJ-MED-fed7ac0b-4
0.452
EDJ-MED-33064c06-3
0.449
PET-UNK-14142a25-8
0.448
PET-UNK-14142a25-17
0.448
VLA-UNK-83c3754c-2
0.447
EDJ-MED-fd8ed875-3
0.447
EDJ-MED-fd8ed875-4
0.447
EDJ-MED-a12e3a20-2
0.447
PET-UNK-4c71d490-2
0.445
PET-UNK-4c71d490-6
0.445
EDJ-MED-3af0740c-6
0.445
PET-UNK-14142a25-9
0.444
PET-UNK-14142a25-18
0.444
ALP-POS-c3a90b22-5
0.444
JOH-MSK-4bb3d434-1
0.443
EDJ-MED-fed7ac0b-2
0.441
LUO-POS-e1dab717-2
0.440
EDJ-MED-976a33d5-1
0.440
MAT-POS-576f7758-2
0.440
MAT-POS-e48723dc-2
0.440
EDJ-MED-33064c06-2
0.440
MAT-POS-e48723dc-1
0.440
PET-UNK-626a1084-2
0.438
PET-UNK-626a1084-4
0.438
PET-UNK-626a1084-1
0.438
PET-UNK-626a1084-3
0.438
EDJ-MED-33064c06-10
0.438
EDJ-MED-7587a9ee-1
0.437
MAT-POS-2e8b2191-8
0.437
EDJ-MED-33064c06-8
0.437
PET-UNK-14142a25-2
0.435
PET-UNK-14142a25-11
0.435
EDJ-MED-3af0740c-7
0.435
MAT-POS-ddfe83c6-4
0.434
PET-UNK-94036022-7
0.434
PET-UNK-94036022-14
0.434
VLA-MRT-a639d434-1
0.434
VLA-MRT-8c78ee15-3
0.434
EDJ-MED-33064c06-17
0.434
EDJ-MED-3af0740c-1
0.433
EDJ-MED-33064c06-1
0.433
EDJ-MED-33064c06-12
0.430
EDJ-MED-33064c06-14
0.430
EDJ-MED-fd8ed875-1
0.429
MIC-UNK-eb20c3e1-1
0.427
EDJ-MED-cc48ee33-2
0.426
EDJ-MED-fd8ed875-2
0.425
JOH-MSK-1f2dff76-1
0.423
JOH-MSK-1f2dff76-2
0.423
MAT-POS-1bed62cf-3
0.423
ALP-POS-c3a90b22-1
0.422
EDJ-MED-98c0a822-3
0.422
EDJ-MED-fd8ed875-5
0.422
EDJ-MED-33064c06-15
0.422
PET-UNK-aa57768f-2
0.421
PET-UNK-aa57768f-3
0.421
PET-UNK-aa57768f-8
0.421
PET-UNK-aa57768f-9
0.421
PET-UNK-eeb64427-3
0.421
PET-UNK-eeb64427-6
0.421
EDJ-MED-8bb691af-9
0.421
BEN-BAS-c2bc0d80-7
0.420
PET-UNK-14142a25-3
0.419