Molecule Details
| Molecular Properties | |
| SMILES: | CN1C(=O)N(c2cncc3ccccc23)C(=O)C12CN(CC(=O)NCC1(F)CC1)Cc1ccc(Cl)cc12 |
| MW: | 521.16 |
| Fraction sp3: | 0.33 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 85.85 |
| cLogP: | 3.62 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
hydantoin
EDJ-MED-3af0740c-7
0.819
MAT-POS-ddfe83c6-5
0.808
EDJ-MED-3af0740c-5
0.708
EDJ-MED-3af0740c-8
0.636
EDJ-MED-24007d8a-1
0.616
MAT-POS-e75f6e44-2
0.614
EDJ-MED-7587a9ee-1
0.611
MAT-POS-2e8b2191-8
0.611
MIC-UNK-7b6fe9e8-2
0.580
MAT-POS-c2d406ed-2
0.580
MAT-POS-e75f6e44-15
0.576
EDJ-MED-6b23330e-5
0.546
MAT-POS-e75f6e44-4
0.546
MAT-POS-ddfe83c6-2
0.538
MAT-POS-e75f6e44-19
0.537
MAT-POS-e75f6e44-7
0.529
EDJ-MED-3af0740c-1
0.516
MAT-POS-e75f6e44-5
0.512
EDJ-MED-cbbe2dbb-3
0.512
MAT-POS-e75f6e44-1
0.512
MAT-POS-e75f6e44-6
0.512
MAT-POS-e75f6e44-12
0.512
JOH-MSK-1f2dff76-2
0.508
MAT-POS-1bed62cf-3
0.508
JOH-MSK-1f2dff76-1
0.508
EDJ-MED-6b23330e-1
0.508
EDJ-MED-33064c06-16
0.508
MAT-POS-e75f6e44-10
0.508
PET-UNK-eeb64427-1
0.504
PET-UNK-eeb64427-4
0.504
MAT-POS-e75f6e44-17
0.504
EDJ-MED-24007d8a-2
0.504
VLA-UNK-83c3754c-2
0.500
MIC-UNK-eb20c3e1-1
0.500
ALP-POS-ecbed2ba-14
0.500
EDJ-MED-6b23330e-6
0.500
MAT-POS-e75f6e44-11
0.496
VLA-MRT-a639d434-1
0.496
VLA-MRT-8c78ee15-3
0.496
MAT-POS-50a80394-7
0.496
MAT-POS-ddfe83c6-4
0.496
LUO-POS-f7b1afe6-4
0.496
PET-UNK-94036022-7
0.496
PET-UNK-94036022-14
0.496
BEN-BAS-c2bc0d80-7
0.496
LUO-POS-f7b1afe6-3
0.492
MAT-POS-e75f6e44-16
0.488
BRU-THA-ae0174a8-1
0.488
EDJ-MED-8bb691af-4
0.487
MAT-POS-c7726e07-5
0.487
LUO-POS-868e8996-12
0.487
LUO-POS-868e8996-11
0.487
MAT-POS-c7726e07-6
0.487
EDJ-MED-6b23330e-2
0.484
EDJ-MED-6b23330e-7
0.484
PET-UNK-eeb64427-5
0.484
PET-UNK-eeb64427-2
0.484
VLA-MRT-8c78ee15-4
0.483
VLA-MRT-a639d434-2
0.483
EDJ-MED-6b23330e-4
0.480
PET-UNK-eeb64427-3
0.480
PET-UNK-eeb64427-6
0.480
ALP-POS-133e7cd9-1
0.479
MAT-POS-e75f6e44-21
0.477
ALP-POS-ecbed2ba-12
0.476
MAT-POS-566864e2-1
0.476
MAT-POS-566864e2-2
0.476
LUO-POS-e1dab717-17
0.475
EDJ-MED-40e596c8-3
0.472
ALP-POS-c3a90b22-6
0.472
MAT-POS-50a80394-4
0.471
MAT-POS-50a80394-5
0.471
LUO-POS-e1dab717-19
0.471
MAT-POS-e75f6e44-18
0.469
MAT-POS-e75f6e44-20
0.469
MAT-POS-69786b79-3
0.468
MAT-POS-c2d406ed-4
0.465
MAT-POS-e75f6e44-13
0.465
MIK-ENA-1494235a-1
0.464
MIK-ENA-4ed700b1-1
0.464
MAT-POS-69786b79-2
0.464
MIK-ENA-4a1c9a78-1
0.464
EDJ-MED-3af0740c-4
0.463
EDJ-MED-6b23330e-3
0.462
EDJ-MED-cbbe2dbb-1
0.462
MIC-UNK-7b6fe9e8-1
0.462
MAT-POS-e75f6e44-14
0.461
LUO-POS-e1dab717-18
0.459
JOH-MSK-51c67e7d-2
0.457
JOH-MSK-51c67e7d-1
0.457
MAT-POS-50a80394-6
0.456
MAT-POS-ddfe83c6-3
0.455
MAT-POS-e75f6e44-9
0.454
MAT-POS-e75f6e44-8
0.454
EDJ-MED-a6bd6de0-1
0.453
EDJ-MED-b0f3342b-1
0.453
EDJ-MED-8bb691af-1
0.450
MAT-POS-e75f6e44-3
0.449
EDJ-MED-cbbe2dbb-4
0.445
MAT-POS-69786b79-4
0.442