Molecular Properties | |
SMILES: | CCN1C(=O)N(c2cncc3ccccc23)C(=O)C12CN(CC(=O)NCC1(C#N)CC1)C(=O)c1ccc(Cl)cc12 |
MW: | 556.16 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 126.71 |
cLogP: | 3.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
Long aliphatic chain
EDJ-MED-a6bd6de0-1
0.791
EDJ-MED-b0f3342b-1
0.791
EDJ-MED-3af0740c-8
0.700
EDJ-MED-cbbe2dbb-2
0.664
EDJ-MED-cbbe2dbb-4
0.661
EDJ-MED-3af0740c-5
0.645
EDJ-MED-33064c06-17
0.645
EDJ-MED-dbcb2afb-1
0.618
EDJ-MED-3af0740c-7
0.566
EDJ-MED-cbbe2dbb-3
0.565
EDJ-MED-24007d8a-1
0.548
EDJ-MED-cbbe2dbb-1
0.546
MIC-UNK-7b6fe9e8-1
0.546
EDJ-MED-33064c06-5
0.539
EDJ-MED-33064c06-8
0.535
EDJ-MED-33064c06-10
0.535
EDJ-MED-33064c06-2
0.528
EDJ-MED-33064c06-14
0.527
EDJ-MED-33064c06-3
0.523
EDJ-MED-24007d8a-2
0.519
EDJ-MED-3af0740c-1
0.519
PET-UNK-14142a25-8
0.512
PET-UNK-14142a25-17
0.512
EDJ-MED-33064c06-1
0.508
EDJ-MED-33064c06-12
0.504
MAT-POS-e75f6e44-11
0.500
EDJ-MED-33064c06-4
0.496
EDJ-MED-33064c06-15
0.496
PET-UNK-14142a25-10
0.492
EDJ-MED-8bb691af-8
0.492
MIK-ENA-37e0b697-1
0.492
PET-UNK-14142a25-1
0.492
LUO-POS-9931618f-1
0.492
MIK-ENA-794411b8-1
0.492
LUO-POS-9931618f-2
0.492
EDJ-MED-33064c06-6
0.489
MIC-UNK-eb20c3e1-2
0.489
PET-UNK-4c71d490-3
0.489
PET-UNK-4c71d490-7
0.489
EDJ-MED-4cb9dd84-1
0.489
MAT-POS-1bed62cf-2
0.488
LUO-POS-868e8996-7
0.488
LUO-POS-868e8996-8
0.488
JOH-MSK-4bb3d434-3
0.484
ALP-POS-c3a90b22-11
0.478
ALP-POS-c3a90b22-12
0.474
EDJ-MED-33064c06-9
0.474
PET-UNK-4c71d490-1
0.474
PET-UNK-4c71d490-5
0.474
JOH-MSK-4bb3d434-1
0.473
PET-UNK-14142a25-2
0.466
PET-UNK-14142a25-11
0.466
EDJ-MED-a12e3a20-2
0.466
PET-UNK-aa57768f-2
0.465
PET-UNK-aa57768f-8
0.465
EDJ-MED-3af0740c-6
0.463
PET-UNK-77d5678a-6
0.462
12_-111-3e02a1cd-2
0.462
PET-UNK-77d5678a-3
0.462
JOH-MSK-4bb3d434-2
0.462
ALP-POS-c3a90b22-8
0.459
EDJ-MED-33064c06-18
0.459
EDJ-MED-9f4ac58c-2
0.452
EDJ-MED-8bb691af-9
0.451
EDJ-MED-3af0740c-3
0.451
EDJ-MED-fd8ed875-1
0.448
ALP-POS-ecbed2ba-14
0.448
EDJ-MED-fed7ac0b-4
0.448
EDJ-MED-8bb691af-7
0.447
PET-UNK-626a1084-1
0.446
PET-UNK-626a1084-3
0.446
EDJ-MED-fd8ed875-3
0.444
MIC-UNK-7b6fe9e8-2
0.442
MAT-POS-c2d406ed-2
0.442
PET-UNK-aa57768f-3
0.442
PET-UNK-aa57768f-9
0.442
PET-UNK-14142a25-4
0.441
PET-UNK-14142a25-13
0.441
EDJ-MED-fd8ed875-5
0.441
ALP-POS-c3a90b22-5
0.440
PET-UNK-aa57768f-5
0.439
PET-UNK-aa57768f-11
0.439
PET-UNK-14142a25-6
0.438
PET-UNK-14142a25-15
0.438
EDJ-MED-fed7ac0b-1
0.437
EDJ-MED-cc48ee33-2
0.435
JOH-MSK-4bb3d434-5
0.430
MAT-POS-ddfe83c6-5
0.429
EDJ-MED-40e596c8-4
0.424
LUO-POS-8c3e556a-1
0.424
EDG-MED-b1ef7fe3-1
0.424
LUO-POS-8c3e556a-2
0.424
PET-UNK-626a1084-2
0.424
PET-UNK-626a1084-4
0.424
EDJ-MED-cc48ee33-7
0.423
EDJ-MED-0d144977-3
0.423
RAL-THA-a9c31980-7
0.422
JOH-MSK-949975c8-1
0.421
EDJ-MED-0d144977-2
0.419
PET-UNK-aa57768f-6
0.418