Molecular Properties | |
SMILES: | Cc1ccc(C)c(NC(=O)Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)c1 |
MW: | 415.16 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 98.88 |
cLogP: | 2.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7145050189 |
MolPort: | MolPort-003-122-327 |
Filter82_pyridinium
MAR-TRE-d0525fbf-42
0.791
MAR-TRE-74c6519b-37
0.779
MAR-TRE-3e4e6814-32
0.765
MAR-TRE-04c86cea-24
0.761
MAR-TRE-f6f5f473-57
0.744
MAR-TRE-74c6519b-15
0.708
MAR-TRE-3e4e6814-48
0.701
MAR-TRE-3e4e6814-29
0.697
MAR-TRE-74c6519b-28
0.693
MAR-TRE-d0525fbf-27
0.689
MAR-TRE-d0525fbf-56
0.681
MAR-TRE-7f7bb9f0-24
0.678
MAR-TRE-74c6519b-32
0.678
MAR-TRE-d0525fbf-47
0.674
MAR-TRE-4b834d9a-81
0.648
MAR-TRE-74c6519b-74
0.644
MAR-TRE-3e4e6814-11
0.641
MAR-TRE-74c6519b-31
0.641
MAR-TRE-74c6519b-80
0.639
MAR-TRE-7f7bb9f0-52
0.633
MAR-TRE-d0525fbf-58
0.630
MAR-TRE-7f7bb9f0-77
0.626
MAR-TRE-d0525fbf-48
0.624
MAR-TRE-9c797165-19
0.614
MAR-TRE-7f7bb9f0-40
0.611
MAR-TRE-74c6519b-21
0.604
MAR-TRE-74c6519b-34
0.602
MAR-TRE-4b834d9a-52
0.591
MAR-TRE-d0525fbf-1
0.573
MAR-TRE-04c86cea-99
0.571
MAR-TRE-d0525fbf-29
0.567
MAR-TRE-b77b7921-36
0.565
MAR-TRE-d0525fbf-17
0.562
MAR-TRE-4b834d9a-41
0.557
MAR-TRE-74c6519b-99
0.549
MAR-TRE-04c86cea-67
0.545
MAR-TRE-f6f5f473-5
0.545
MAR-TRE-4b834d9a-19
0.544
MAR-TRE-d0525fbf-15
0.539
MAR-TRE-b77b7921-42
0.535
MAR-TRE-4b834d9a-80
0.522
MAR-TRE-74c6519b-94
0.522
MAR-TRE-3e4e6814-46
0.520
MAR-TRE-f6f5f473-18
0.520
MAR-TRE-3e4e6814-99
0.517
MAR-TRE-04c86cea-30
0.515
MAR-TRE-f6f5f473-21
0.515
MAR-TRE-04c86cea-43
0.515
MAR-TRE-74c6519b-43
0.515
MAR-TRE-d0525fbf-20
0.515
MAR-TRE-b77b7921-60
0.515
MAR-TRE-4b834d9a-72
0.510
MAR-TRE-b77b7921-82
0.510
MAR-TRE-04c86cea-22
0.510
MAR-TRE-04c86cea-59
0.510
MAR-TRE-f6f5f473-3
0.510
MAR-TRE-74c6519b-62
0.510
MAR-TRE-7f7bb9f0-10
0.505
MAR-TRE-74c6519b-40
0.505
MAR-TRE-3e4e6814-83
0.505
MAR-TRE-74c6519b-87
0.505
MAR-TRE-b77b7921-57
0.500
MAR-TRE-d0525fbf-25
0.500
MAR-TRE-d0525fbf-31
0.495
MAR-TRE-f6f5f473-64
0.495
MAR-TRE-f6f5f473-7
0.495
MAR-TRE-d0525fbf-86
0.495
MAR-TRE-3e4e6814-91
0.490
MAR-TRE-04c86cea-42
0.490
MAR-TRE-f6f5f473-60
0.490
MAR-TRE-b77b7921-45
0.485
MAR-TRE-f6f5f473-38
0.475
MAR-TRE-3e4e6814-40
0.471
MAR-TRE-4b834d9a-50
0.465
MAR-TRE-b77b7921-58
0.465
MAR-TRE-04c86cea-3
0.462
MAR-TRE-d0525fbf-62
0.461
MAR-TRE-d0525fbf-49
0.458
MAR-TRE-d0525fbf-57
0.458
MAR-TRE-3e4e6814-15
0.457
MAR-TRE-04c86cea-2
0.456
MAR-TRE-04c86cea-92
0.456
MAR-TRE-04c86cea-66
0.453
MAR-TRE-4b834d9a-28
0.453
MAR-TRE-74c6519b-84
0.453
MAR-TRE-b77b7921-13
0.451
MAR-TRE-d0525fbf-13
0.449
MAR-TRE-b77b7921-25
0.448
MAR-TRE-d0525fbf-60
0.448
MAR-TRE-d0525fbf-73
0.447
MAR-TRE-d0525fbf-76
0.447
MAR-TRE-b77b7921-46
0.447
MAR-TRE-f6f5f473-11
0.446
MAR-TRE-04c86cea-8
0.442
MAR-TRE-b77b7921-50
0.441
MAR-TRE-d0525fbf-32
0.440
MAR-TRE-d0525fbf-40
0.439
MAR-TRE-74c6519b-20
0.435
MAR-TRE-74c6519b-2
0.430
MAR-TRE-3e4e6814-42
0.424