Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(-c2ccccc2)c2ncccc21)NCc1ccc(Br)cc1 |
MW: | 436.05 |
Fraction sp3: | 0.1 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 68.92 |
cLogP: | 3.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8055134056 |
MolPort: | MolPort-010-917-468 |
Filter9_metal
aryl bromide
MAR-TRE-f6f5f473-94
0.808
MAR-TRE-04c86cea-21
0.792
MAR-TRE-04c86cea-52
0.792
MAR-TRE-f6f5f473-34
0.792
MAR-TRE-d0525fbf-79
0.671
MAR-TRE-04c86cea-60
0.671
MAR-TRE-4b834d9a-60
0.667
MAR-TRE-74c6519b-45
0.667
MAR-TRE-3e4e6814-73
0.663
MAR-TRE-f6f5f473-55
0.663
MAR-TRE-4b834d9a-23
0.647
MAR-TRE-04c86cea-69
0.643
MAR-TRE-04c86cea-58
0.640
MAR-TRE-04c86cea-45
0.635
MAR-TRE-74c6519b-30
0.621
MAR-TRE-4b834d9a-35
0.621
MAR-TRE-f6f5f473-17
0.621
MAR-TRE-3e4e6814-18
0.614
MAR-TRE-3e4e6814-21
0.614
MAR-TRE-d0525fbf-9
0.607
MAR-TRE-d0525fbf-37
0.607
MAR-TRE-b77b7921-27
0.607
MAR-TRE-b77b7921-43
0.600
MAR-TRE-3e4e6814-69
0.600
MAR-TRE-4b834d9a-36
0.600
MAR-TRE-67513f76-11
0.598
MAR-TRE-74c6519b-39
0.598
MAR-TRE-f6f5f473-53
0.593
MAR-TRE-74c6519b-77
0.581
MAR-TRE-04c86cea-80
0.562
MAR-TRE-4b834d9a-69
0.543
MAR-TRE-7f7bb9f0-3
0.543
MAR-TRE-b77b7921-100
0.533
MAR-TRE-3e4e6814-2
0.531
MAR-TRE-d0525fbf-6
0.531
MAR-TRE-b77b7921-48
0.531
MAR-TRE-b77b7921-98
0.527
MAR-TRE-74c6519b-70
0.526
MAR-TRE-7f7bb9f0-70
0.526
MAR-TRE-f6f5f473-22
0.526
MAR-TRE-d0525fbf-8
0.526
MAR-TRE-d0525fbf-70
0.526
MAR-TRE-9c797165-23
0.522
MAR-TRE-74c6519b-92
0.522
MAR-TRE-4b834d9a-54
0.516
MAR-TRE-f6f5f473-68
0.516
MAR-TRE-4b834d9a-76
0.511
MAR-TRE-d0525fbf-12
0.510
MAR-TRE-04c86cea-33
0.510
MAR-TRE-3e4e6814-86
0.505
MAR-TRE-74c6519b-86
0.505
MAR-TRE-f6f5f473-12
0.505
MAR-TRE-d0525fbf-3
0.505
MAR-TRE-d0525fbf-68
0.505
MAR-TRE-04c86cea-70
0.500
MAR-TRE-4b834d9a-32
0.500
MAR-TRE-9c797165-85
0.495
MAR-TRE-d0525fbf-21
0.495
MAR-TRE-7f7bb9f0-22
0.490
MAR-TRE-f6f5f473-82
0.489
MAR-TRE-74c6519b-72
0.480
MAR-TRE-9c797165-78
0.478
MAR-TRE-3e4e6814-5
0.477
MAR-TRE-d0525fbf-2
0.475
MAR-TRE-b77b7921-20
0.475
MAR-TRE-d0525fbf-44
0.471
MAR-TRE-7f7bb9f0-1
0.471
MAR-TRE-3e4e6814-4
0.470
MAR-TRE-7f7bb9f0-71
0.469
MAR-TRE-3e4e6814-25
0.469
MAR-TRE-f6f5f473-88
0.464
MAR-TRE-b77b7921-59
0.463
MAR-TRE-f6f5f473-16
0.459
MAR-TRE-f6f5f473-43
0.458
MAR-TRE-d0525fbf-71
0.456
MAR-TRE-7f7bb9f0-78
0.456
MAR-TRE-b77b7921-54
0.456
MAR-TRE-04c86cea-63
0.454
MAR-TRE-04c86cea-36
0.454
MAR-TRE-7f7bb9f0-73
0.452
MAR-TRE-74c6519b-73
0.451
MAR-TRE-67513f76-23
0.447
MAR-TRE-4b834d9a-39
0.446
MAR-TRE-f6f5f473-62
0.446
MAR-TRE-04c86cea-56
0.444
MAR-TRE-3e4e6814-12
0.442
MAR-TRE-3e4e6814-75
0.441
MAR-TRE-3e4e6814-60
0.440
MAR-TRE-67513f76-62
0.440
MAR-TRE-67513f76-15
0.437
MAR-TRE-f6f5f473-66
0.436
MAR-TRE-3e4e6814-26
0.433
MAR-TRE-67513f76-72
0.433
MAR-TRE-3e4e6814-7
0.424
MAR-TRE-74c6519b-27
0.423
MAR-TRE-3e4e6814-14
0.418
MAR-TRE-74c6519b-6
0.418
MAR-TRE-b77b7921-4
0.414
MAR-TRE-4b834d9a-14
0.414
MAR-TRE-04c86cea-57
0.412