Molecular Properties | |
SMILES: | CCN1C(=O)N(c2cncc3ccccc23)C(=O)C12CN(CC(=O)NCC1(C#N)CC1)Cc1ccc(Cl)cc12 |
MW: | 542.18 |
Fraction sp3: | 0.34 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 109.64 |
cLogP: | 3.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
Long aliphatic chain
EDJ-MED-24007d8a-1
0.788
EDJ-MED-3af0740c-7
0.782
EDJ-MED-3af0740c-4
0.700
MIC-UNK-7b6fe9e8-1
0.681
EDJ-MED-cbbe2dbb-1
0.681
EDJ-MED-cbbe2dbb-3
0.664
EDJ-MED-24007d8a-2
0.638
EDJ-MED-3af0740c-6
0.636
MAT-POS-e75f6e44-11
0.613
MAT-POS-ddfe83c6-5
0.600
EDJ-MED-cbbe2dbb-2
0.576
EDJ-MED-cbbe2dbb-4
0.557
EDJ-MED-a6bd6de0-1
0.553
EDJ-MED-b0f3342b-1
0.553
JOH-MSK-949975c8-1
0.533
EDJ-MED-dbcb2afb-1
0.532
MIC-UNK-7b6fe9e8-2
0.532
MAT-POS-c2d406ed-2
0.532
ALP-POS-ecbed2ba-14
0.528
MAT-POS-ddfe83c6-2
0.516
MAT-POS-e75f6e44-7
0.508
EDJ-MED-33064c06-17
0.508
MAT-POS-e75f6e44-1
0.504
MAT-POS-e75f6e44-12
0.504
MAT-POS-e75f6e44-4
0.500
EDJ-MED-6b23330e-5
0.500
MAT-POS-e75f6e44-17
0.496
MAT-POS-c2d406ed-4
0.492
MAT-POS-e75f6e44-6
0.492
MAT-POS-e75f6e44-15
0.492
MAT-POS-e75f6e44-19
0.492
MAT-POS-e75f6e44-5
0.492
MIC-UNK-eb20c3e1-1
0.492
EDJ-MED-6b23330e-3
0.489
EDJ-MED-33064c06-16
0.488
MAT-POS-e75f6e44-10
0.488
EDJ-MED-6b23330e-1
0.488
MAT-POS-e75f6e44-2
0.488
MAT-POS-69786b79-4
0.481
VLA-MRT-8c78ee15-3
0.476
VLA-MRT-a639d434-1
0.476
PET-UNK-94036022-7
0.476
PET-UNK-94036022-14
0.476
JOH-MSK-1f2dff76-1
0.476
JOH-MSK-1f2dff76-2
0.476
MAT-POS-ddfe83c6-4
0.476
MAT-POS-1bed62cf-3
0.476
MIC-UNK-eb20c3e1-3
0.473
PET-UNK-eeb64427-4
0.472
PET-UNK-eeb64427-1
0.472
LUO-POS-f7b1afe6-3
0.472
EDJ-MED-8bb691af-4
0.468
LUO-POS-868e8996-11
0.468
MAT-POS-c7726e07-5
0.468
MAT-POS-c7726e07-6
0.468
LUO-POS-868e8996-12
0.468
MAT-POS-2e8b2191-8
0.467
EDJ-MED-7587a9ee-1
0.467
LUO-POS-eaf50f21-3
0.467
EDJ-MED-3af0740c-5
0.467
EDJ-MED-6b23330e-7
0.465
EDJ-MED-6b23330e-2
0.465
PET-UNK-eeb64427-2
0.465
PET-UNK-eeb64427-5
0.465
MAT-POS-50a80394-4
0.464
MAT-POS-50a80394-7
0.464
LUO-POS-f7b1afe6-4
0.464
VLA-MRT-a639d434-2
0.463
VLA-MRT-8c78ee15-4
0.463
MIC-UNK-7b6fe9e8-3
0.463
EDJ-MED-6b23330e-4
0.462
MAT-POS-69786b79-3
0.461
PET-UNK-eeb64427-3
0.461
PET-UNK-eeb64427-6
0.461
LUO-POS-b5068a05-1
0.460
LUO-POS-eaf50f21-5
0.460
LUO-POS-eaf50f21-2
0.459
LUO-POS-eaf50f21-4
0.459
EDG-MED-b6bce001-2
0.459
MAT-POS-e75f6e44-16
0.459
EDJ-MED-6b23330e-6
0.458
PET-UNK-94036022-6
0.458
PET-UNK-94036022-13
0.458
BRU-THA-ae0174a8-1
0.457
ALP-POS-ecbed2ba-12
0.457
MAT-POS-566864e2-1
0.457
MAT-POS-566864e2-2
0.457
MAT-POS-50a80394-5
0.452
LUO-POS-e1dab717-19
0.452
MIK-ENA-be04d1d4-1
0.451
MIK-ENA-e143773d-1
0.451
MIK-ENA-edcfce18-1
0.451
MIK-ENA-0547b12c-1
0.451
LUO-POS-eaf50f21-1
0.451
MAT-POS-e75f6e44-20
0.451
MAT-POS-50a80394-2
0.451
MAT-POS-1bed62cf-1
0.450
LUO-POS-868e8996-9
0.450
LUO-POS-868e8996-10
0.450
MAT-POS-50a80394-6
0.450