Molecular Properties | |
SMILES: | CN1C(=O)N(c2cncc3ccccc23)C(=O)C12CN(CC(=O)NCC1(F)CC1)C(=O)c1ccc(Cl)cc12 |
MW: | 535.14 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 102.92 |
cLogP: | 3.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
EDJ-MED-3af0740c-6
0.708
EDJ-MED-3af0740c-1
0.652
EDJ-MED-3af0740c-4
0.645
EDJ-MED-a6bd6de0-1
0.619
EDJ-MED-b0f3342b-1
0.619
EDJ-MED-3af0740c-7
0.581
EDJ-MED-33064c06-5
0.566
MAT-POS-ddfe83c6-5
0.559
EDJ-MED-33064c06-2
0.554
EDJ-MED-33064c06-8
0.549
EDJ-MED-33064c06-3
0.548
EDJ-MED-33064c06-10
0.548
EDJ-MED-33064c06-14
0.540
PET-UNK-14142a25-8
0.537
PET-UNK-14142a25-17
0.537
EDJ-MED-33064c06-1
0.532
EDJ-MED-33064c06-17
0.532
EDJ-MED-33064c06-12
0.528
PET-UNK-4c71d490-3
0.524
PET-UNK-4c71d490-7
0.524
EDJ-MED-33064c06-6
0.523
EDJ-MED-cbbe2dbb-4
0.520
EDJ-MED-7587a9ee-1
0.517
MAT-POS-2e8b2191-8
0.517
PET-UNK-14142a25-1
0.517
MIK-ENA-37e0b697-1
0.517
LUO-POS-9931618f-1
0.517
MIK-ENA-794411b8-1
0.517
LUO-POS-9931618f-2
0.517
PET-UNK-14142a25-10
0.517
EDJ-MED-8bb691af-8
0.517
MAT-POS-1bed62cf-2
0.512
LUO-POS-868e8996-7
0.512
LUO-POS-868e8996-8
0.512
EDJ-MED-4cb9dd84-1
0.512
MAT-POS-e75f6e44-2
0.512
JOH-MSK-4bb3d434-3
0.508
EDJ-MED-33064c06-4
0.508
PET-UNK-14142a25-11
0.500
ALP-POS-c3a90b22-11
0.500
PET-UNK-14142a25-2
0.500
MIC-UNK-eb20c3e1-2
0.500
EDJ-MED-33064c06-9
0.496
ALP-POS-c3a90b22-12
0.496
EDJ-MED-dbcb2afb-1
0.496
PET-UNK-4c71d490-1
0.496
PET-UNK-4c71d490-5
0.496
JOH-MSK-4bb3d434-1
0.496
VLA-UNK-83c3754c-2
0.491
MIC-UNK-7b6fe9e8-2
0.485
MAT-POS-c2d406ed-2
0.485
12_-111-3e02a1cd-2
0.484
PET-UNK-77d5678a-3
0.484
JOH-MSK-4bb3d434-2
0.484
PET-UNK-77d5678a-6
0.484
MAT-POS-e75f6e44-15
0.481
EDJ-MED-33064c06-18
0.480
EDJ-MED-cc48ee33-2
0.477
BEN-BAS-c2bc0d80-7
0.475
EDJ-MED-fd8ed875-5
0.473
EDJ-MED-33064c06-15
0.473
ALP-POS-c3a90b22-5
0.472
EDJ-MED-fed7ac0b-4
0.469
EDJ-MED-fd8ed875-1
0.469
EDJ-MED-8bb691af-7
0.468
EDJ-MED-3af0740c-8
0.467
EDJ-MED-40e596c8-4
0.466
EDJ-MED-fd8ed875-3
0.465
EDJ-MED-a12e3a20-2
0.465
EDJ-MED-cbbe2dbb-2
0.459
EDJ-MED-fed7ac0b-1
0.457
EDJ-MED-3af0740c-2
0.455
EDJ-MED-6b23330e-5
0.454
MAT-POS-e75f6e44-4
0.454
PET-UNK-aa57768f-2
0.452
PET-UNK-aa57768f-3
0.452
PET-UNK-aa57768f-9
0.452
PET-UNK-aa57768f-8
0.452
PET-UNK-14142a25-4
0.450
PET-UNK-14142a25-13
0.450
EDJ-MED-8bb691af-9
0.450
PET-UNK-14142a25-6
0.447
PET-UNK-14142a25-15
0.447
MAT-POS-e75f6e44-19
0.447
EDJ-MED-cbbe2dbb-3
0.446
LUO-POS-8c3e556a-2
0.444
EDG-MED-b1ef7fe3-1
0.444
LUO-POS-8c3e556a-1
0.444
EDJ-MED-cc48ee33-7
0.443
EDJ-MED-0d144977-3
0.443
PET-UNK-37c7074c-1
0.442
PET-UNK-37c7074c-3
0.442
EDJ-MED-24007d8a-1
0.442
EDJ-MED-0d144977-4
0.439
EDJ-MED-0d144977-5
0.439
MAT-POS-e75f6e44-7
0.439
EDJ-MED-0d144977-2
0.438
PET-UNK-aa57768f-6
0.438
PET-UNK-aa57768f-11
0.438
PET-UNK-aa57768f-12
0.438