Molecular Properties | |
SMILES: | CCN1C(=O)N(c2cncc3ccccc23)C(=O)C12CN(C1(C(=O)NC)CC1)C(=O)c1ccc(Cl)cc12 |
MW: | 517.15 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 102.92 |
cLogP: | 3.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
MAT-POS-50a80394-2
EDJ-MED-cbbe2dbb-4
0.713
EDJ-MED-a6bd6de0-1
0.706
EDJ-MED-b0f3342b-1
0.706
EDJ-MED-24007d8a-2
0.667
EDJ-MED-cbbe2dbb-2
0.627
PET-UNK-14142a25-9
0.623
PET-UNK-14142a25-18
0.623
EDJ-MED-3af0740c-4
0.618
PET-UNK-4c71d490-4
0.603
PET-UNK-4c71d490-8
0.603
EDJ-MED-24007d8a-1
0.602
PET-UNK-4c71d490-2
0.593
PET-UNK-4c71d490-6
0.593
EDJ-MED-cbbe2dbb-3
0.591
MAT-POS-e48723dc-2
0.591
LUO-POS-e1dab717-2
0.591
EDJ-MED-976a33d5-1
0.591
MAT-POS-576f7758-2
0.591
MAT-POS-e48723dc-1
0.591
EDJ-MED-fd8ed875-4
0.588
PET-UNK-14142a25-3
0.576
LUO-POS-e1dab717-14
0.576
PET-UNK-14142a25-12
0.576
ALP-POS-c3a90b22-1
0.568
EDJ-MED-98c0a822-3
0.568
EDJ-MED-7e491f08-2
0.564
EDJ-MED-fd8ed875-2
0.559
EDJ-MED-fd8ed875-6
0.558
EDJ-MED-fed7ac0b-2
0.550
PET-UNK-14142a25-5
0.541
PET-UNK-14142a25-14
0.541
PET-UNK-14142a25-7
0.537
PET-UNK-14142a25-16
0.537
EDJ-MED-3af0740c-8
0.532
ALP-POS-c3a90b22-9
0.528
EDJ-MED-33064c06-11
0.528
EDJ-MED-98c0a822-4
0.520
ALP-POS-c3a90b22-3
0.520
EDJ-MED-33064c06-13
0.520
EDJ-MED-cbbe2dbb-1
0.508
MIC-UNK-7b6fe9e8-1
0.508
LUO-POS-e1dab717-4
0.504
EDJ-MED-3af0740c-5
0.496
EDJ-MED-59d5ca70-1
0.484
MIC-UNK-eb20c3e1-2
0.484
MIC-UNK-eb20c3e1-4
0.476
PET-UNK-14142a25-10
0.475
EDJ-MED-8bb691af-8
0.475
PET-UNK-14142a25-1
0.475
MIK-ENA-37e0b697-1
0.475
LUO-POS-9931618f-1
0.475
MIK-ENA-794411b8-1
0.475
LUO-POS-9931618f-2
0.475
PET-UNK-4c71d490-3
0.472
PET-UNK-4c71d490-7
0.472
MAT-POS-1bed62cf-2
0.472
LUO-POS-868e8996-7
0.472
LUO-POS-868e8996-8
0.472
JOH-MSK-4bb3d434-3
0.467
MAT-POS-ddfe83c6-5
0.467
EDJ-MED-b6c6ee2b-7
0.465
PET-UNK-14142a25-11
0.460
PET-UNK-14142a25-2
0.460
EDJ-MED-7d88f880-2
0.458
PET-UNK-4c71d490-1
0.457
PET-UNK-4c71d490-5
0.457
ALP-POS-c3a90b22-5
0.456
EDJ-MED-976a33d5-3
0.456
LUO-POS-e1dab717-6
0.454
EDJ-MED-5cd3920d-3
0.454
EDJ-MED-5cd3920d-4
0.454
EDJ-MED-33064c06-7
0.450
EDJ-MED-976a33d5-2
0.450
LUO-POS-e1dab717-10
0.450
PET-UNK-14142a25-17
0.449
PET-UNK-14142a25-8
0.449
EDJ-MED-a12e3a20-2
0.448
EDJ-MED-98c0a822-1
0.445
JOH-MSK-4bb3d434-2
0.444
PET-UNK-77d5678a-6
0.444
12_-111-3e02a1cd-2
0.444
PET-UNK-77d5678a-3
0.444
JOH-MSK-4bb3d434-1
0.444
VLA-UCB-34f3ed0c-14
0.442
VLA-UNK-f702bf1c-6
0.442
EDJ-MED-4138fde9-5
0.441
EDJ-MED-fd8ed875-1
0.441
MAT-POS-566864e2-3
0.440
ALP-POS-ecbed2ba-7
0.440
LUO-POS-e1dab717-1
0.440
MAT-POS-69786b79-1
0.440
MAT-POS-576f7758-1
0.440
MAT-POS-566864e2-4
0.440
LUO-POS-e1dab717-8
0.439
LUO-POS-5857a86a-3
0.438
LUO-POS-5857a86a-4
0.437
EDJ-MED-fd8ed875-3
0.437
VLA-UNK-83c3754c-2
0.436
EDJ-MED-3af0740c-6
0.435
VLA-UNK-f702bf1c-7
0.434