Molecular Properties | |
SMILES: | CN1C(=O)N(c2cncc3ccccc23)C(=O)C12CN(CC(=O)NCC1(C#N)CC1)Cc1ccc(Cl)cc12 |
MW: | 528.17 |
Fraction sp3: | 0.32 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 109.64 |
cLogP: | 3.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
Long aliphatic chain
EDJ-MED-3af0740c-6
0.819
MAT-POS-ddfe83c6-5
0.784
EDJ-MED-3af0740c-8
0.782
MIC-UNK-7b6fe9e8-2
0.661
MAT-POS-c2d406ed-2
0.661
MAT-POS-e75f6e44-11
0.624
EDJ-MED-24007d8a-1
0.600
EDJ-MED-7587a9ee-1
0.595
MAT-POS-2e8b2191-8
0.595
EDJ-MED-3af0740c-5
0.581
EDJ-MED-3af0740c-4
0.566
MAT-POS-c2d406ed-4
0.536
EDJ-MED-cbbe2dbb-1
0.532
MIC-UNK-7b6fe9e8-1
0.532
MAT-POS-ddfe83c6-2
0.525
ALP-POS-ecbed2ba-14
0.525
MAT-POS-e75f6e44-4
0.520
EDJ-MED-6b23330e-5
0.520
MAT-POS-e75f6e44-7
0.516
EDJ-MED-33064c06-17
0.516
EDJ-MED-cbbe2dbb-3
0.512
MAT-POS-e75f6e44-1
0.512
MAT-POS-e75f6e44-12
0.512
MAT-POS-e75f6e44-19
0.512
MAT-POS-e75f6e44-17
0.504
MAT-POS-e75f6e44-6
0.500
MAT-POS-e75f6e44-15
0.500
MAT-POS-e75f6e44-5
0.500
EDJ-MED-33064c06-16
0.496
MAT-POS-e75f6e44-10
0.496
EDJ-MED-6b23330e-1
0.496
MAT-POS-e75f6e44-2
0.496
JOH-MSK-1f2dff76-1
0.496
JOH-MSK-1f2dff76-2
0.496
MAT-POS-1bed62cf-3
0.496
EDJ-MED-24007d8a-2
0.492
LUO-POS-f7b1afe6-3
0.492
MIC-UNK-eb20c3e1-1
0.488
VLA-UNK-83c3754c-2
0.487
EDJ-MED-6b23330e-3
0.485
MAT-POS-50a80394-7
0.484
VLA-MRT-8c78ee15-3
0.484
PET-UNK-94036022-7
0.484
PET-UNK-94036022-14
0.484
MAT-POS-ddfe83c6-4
0.484
LUO-POS-f7b1afe6-4
0.484
VLA-MRT-a639d434-1
0.484
BEN-BAS-c2bc0d80-7
0.483
PET-UNK-eeb64427-4
0.480
PET-UNK-eeb64427-1
0.480
MAT-POS-e75f6e44-16
0.477
MAT-POS-69786b79-4
0.477
EDJ-MED-6b23330e-6
0.477
LUO-POS-868e8996-12
0.475
EDJ-MED-8bb691af-4
0.475
MAT-POS-c7726e07-5
0.475
LUO-POS-868e8996-11
0.475
MAT-POS-c7726e07-6
0.475
JOH-MSK-949975c8-1
0.475
EDJ-MED-6b23330e-7
0.472
EDJ-MED-6b23330e-2
0.472
PET-UNK-eeb64427-2
0.472
PET-UNK-eeb64427-5
0.472
VLA-MRT-a639d434-2
0.471
VLA-MRT-8c78ee15-4
0.471
MIC-UNK-eb20c3e1-3
0.469
MAT-POS-1bed62cf-1
0.469
EDJ-MED-6b23330e-4
0.469
LUO-POS-868e8996-9
0.469
LUO-POS-868e8996-10
0.469
PET-UNK-eeb64427-3
0.468
PET-UNK-eeb64427-6
0.468
ALP-POS-133e7cd9-1
0.468
EDJ-MED-4138fde9-7
0.466
PET-UNK-94036022-13
0.465
PET-UNK-94036022-6
0.465
MAT-POS-566864e2-2
0.465
BRU-THA-ae0174a8-1
0.465
MAT-POS-566864e2-1
0.465
ALP-POS-ecbed2ba-12
0.465
LUO-POS-e1dab717-17
0.464
LUO-POS-eaf50f21-3
0.463
ALP-POS-c3a90b22-6
0.460
MAT-POS-50a80394-4
0.460
LUO-POS-e1dab717-19
0.459
MAT-POS-e75f6e44-20
0.458
MAT-POS-69786b79-3
0.457
MAT-POS-50a80394-6
0.457
LUO-POS-b5068a05-1
0.456
EDJ-MED-cbbe2dbb-2
0.455
LUO-POS-eaf50f21-2
0.455
EDG-MED-b6bce001-2
0.455
MAT-POS-c2d406ed-1
0.454
MAT-POS-e75f6e44-13
0.454
MIK-ENA-f156d06e-1
0.454
MIK-ENA-1494235a-1
0.453
MIK-ENA-4ed700b1-1
0.453
MIK-ENA-4a1c9a78-1
0.453
MAT-POS-69786b79-2
0.453
LUO-POS-b5068a05-2
0.452