Molecular Properties | |
SMILES: | Cc1ccc(-n2c(=O)n(CC(=O)NCc3ccncc3)c3cccnc32)cc1 |
MW: | 373.15 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 81.81 |
cLogP: | 2.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-f6f5f473-55
0.805
MAR-TRE-67513f76-11
0.795
MAR-TRE-f6f5f473-17
0.775
MAR-TRE-04c86cea-80
0.772
MAR-TRE-74c6519b-30
0.732
MAR-TRE-3e4e6814-21
0.723
MAR-TRE-f6f5f473-34
0.716
MAR-TRE-b77b7921-48
0.701
MAR-TRE-f6f5f473-22
0.698
MAR-TRE-3e4e6814-86
0.679
MAR-TRE-74c6519b-92
0.679
MAR-TRE-04c86cea-33
0.674
MAR-TRE-f6f5f473-68
0.671
MAR-TRE-04c86cea-70
0.667
MAR-TRE-4b834d9a-60
0.659
MAR-TRE-f6f5f473-12
0.655
MAR-TRE-3e4e6814-4
0.644
MAR-TRE-f6f5f473-94
0.642
MAR-TRE-4b834d9a-23
0.640
MAR-TRE-3e4e6814-73
0.635
MAR-TRE-b77b7921-20
0.633
MAR-TRE-3e4e6814-25
0.629
MAR-TRE-d0525fbf-37
0.618
MAR-TRE-d0525fbf-9
0.618
MAR-TRE-4b834d9a-35
0.614
MAR-TRE-3e4e6814-2
0.609
MAR-TRE-74c6519b-70
0.604
MAR-TRE-f6f5f473-20
0.598
MAR-TRE-04c86cea-21
0.598
MAR-TRE-04c86cea-52
0.598
MAR-TRE-3e4e6814-60
0.593
MAR-TRE-7f7bb9f0-3
0.587
MAR-TRE-04c86cea-57
0.576
MAR-TRE-d0525fbf-6
0.574
MAR-TRE-4b834d9a-69
0.571
MAR-TRE-7f7bb9f0-70
0.570
MAR-TRE-d0525fbf-8
0.568
MAR-TRE-d0525fbf-70
0.568
MAR-TRE-3e4e6814-26
0.562
MAR-TRE-9c797165-85
0.554
MAR-TRE-d0525fbf-79
0.554
MAR-TRE-74c6519b-45
0.553
MAR-TRE-74c6519b-86
0.548
MAR-TRE-d0525fbf-68
0.546
MAR-TRE-b77b7921-68
0.541
MAR-TRE-04c86cea-60
0.538
MAR-TRE-d0525fbf-12
0.537
MAR-TRE-3e4e6814-10
0.534
MAR-TRE-9c797165-23
0.533
MAR-TRE-7f7bb9f0-22
0.532
MAR-TRE-d0525fbf-3
0.531
MAR-TRE-04c86cea-58
0.531
MAR-TRE-4b834d9a-54
0.527
MAR-TRE-7f7bb9f0-1
0.525
MAR-TRE-9c797165-78
0.522
MAR-TRE-4b834d9a-76
0.521
MAR-TRE-f6f5f473-88
0.521
MAR-TRE-d0525fbf-21
0.521
MAR-TRE-f6f5f473-43
0.516
MAR-TRE-d0525fbf-2
0.515
MAR-TRE-74c6519b-73
0.511
MAR-TRE-04c86cea-69
0.511
MAR-TRE-d0525fbf-44
0.510
MAR-TRE-d0525fbf-71
0.510
MAR-TRE-04c86cea-45
0.505
MAR-TRE-7f7bb9f0-73
0.505
MAR-TRE-7f7bb9f0-78
0.500
MAR-TRE-3e4e6814-18
0.500
MAR-TRE-74c6519b-77
0.495
MAR-TRE-7f7bb9f0-71
0.495
MAR-TRE-4b834d9a-36
0.495
MAR-TRE-3e4e6814-11
0.495
MAR-TRE-f6f5f473-66
0.495
MAR-TRE-b77b7921-59
0.489
MAR-TRE-67513f76-23
0.489
MAR-TRE-b77b7921-27
0.485
MAR-TRE-3e4e6814-75
0.484
MAR-TRE-3e4e6814-69
0.483
MAR-TRE-b77b7921-43
0.480
MAR-TRE-4b834d9a-30
0.470
MAR-TRE-f6f5f473-53
0.468
MAR-TRE-67513f76-62
0.465
MAR-TRE-67513f76-15
0.461
MAR-TRE-04c86cea-73
0.459
MAR-TRE-74c6519b-6
0.458
MAR-TRE-d0525fbf-89
0.455
MAR-TRE-b77b7921-98
0.444
MAR-TRE-67513f76-72
0.442
MAR-TRE-b77b7921-45
0.441
MAR-TRE-74c6519b-5
0.440
MAR-TRE-3e4e6814-5
0.440
MAR-TRE-f6f5f473-82
0.439
MAR-TRE-b77b7921-54
0.435
MAR-TRE-b77b7921-100
0.433
MAR-TRE-9c797165-100
0.429
MAR-TRE-f6f5f473-62
0.427
MAR-TRE-f6f5f473-72
0.427
MAR-TRE-f6f5f473-16
0.426
MAR-TRE-04c86cea-56
0.426
MAR-TRE-4b834d9a-39
0.426