Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(-c2ccccc2)c2ncccc21)NCC1CCCCC1 |
MW: | 364.19 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 68.92 |
cLogP: | 2.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5369729972 |
MolPort: | MolPort-010-917-462 |
MAR-TRE-b77b7921-59
0.792
MAR-TRE-3e4e6814-18
0.642
MAR-TRE-f6f5f473-94
0.637
MAR-TRE-3e4e6814-69
0.628
MAR-TRE-04c86cea-52
0.612
MAR-TRE-d0525fbf-79
0.602
MAR-TRE-04c86cea-69
0.593
MAR-TRE-f6f5f473-20
0.593
MAR-TRE-f6f5f473-34
0.593
MAR-TRE-04c86cea-21
0.593
MAR-TRE-04c86cea-45
0.586
MAR-TRE-67513f76-62
0.571
MAR-TRE-4b834d9a-36
0.571
MAR-TRE-04c86cea-60
0.567
MAR-TRE-74c6519b-45
0.565
MAR-TRE-b77b7921-27
0.560
MAR-TRE-04c86cea-58
0.559
MAR-TRE-b77b7921-43
0.554
MAR-TRE-3e4e6814-60
0.554
MAR-TRE-74c6519b-77
0.553
MAR-TRE-3e4e6814-75
0.547
MAR-TRE-4b834d9a-32
0.541
MAR-TRE-b77b7921-100
0.539
MAR-TRE-3e4e6814-73
0.539
MAR-TRE-b77b7921-16
0.533
MAR-TRE-b77b7921-98
0.533
MAR-TRE-4b834d9a-23
0.527
MAR-TRE-f6f5f473-55
0.522
MAR-TRE-9c797165-78
0.517
MAR-TRE-b77b7921-22
0.511
MAR-TRE-4b834d9a-60
0.506
MAR-TRE-74c6519b-72
0.500
MAR-TRE-9c797165-23
0.495
MAR-TRE-4b834d9a-54
0.489
MAR-TRE-7f7bb9f0-70
0.485
MAR-TRE-9c797165-85
0.484
MAR-TRE-4b834d9a-76
0.484
MAR-TRE-67513f76-11
0.484
MAR-TRE-74c6519b-86
0.479
MAR-TRE-d0525fbf-37
0.479
MAR-TRE-7f7bb9f0-22
0.479
MAR-TRE-3e4e6814-86
0.479
MAR-TRE-74c6519b-92
0.479
MAR-TRE-f6f5f473-82
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MAR-TRE-7f7bb9f0-78
0.477
MAR-TRE-7f7bb9f0-71
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MAR-TRE-04c86cea-70
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MAR-TRE-4b834d9a-35
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MAR-TRE-74c6519b-30
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MAR-TRE-f6f5f473-17
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MAR-TRE-f6f5f473-68
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MAR-TRE-d0525fbf-12
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MAR-TRE-d0525fbf-21
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MAR-TRE-4b834d9a-69
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MAR-TRE-3e4e6814-21
0.469
MAR-TRE-74c6519b-39
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MAR-TRE-04c86cea-80
0.468
MAR-TRE-67513f76-23
0.467
MAR-TRE-67513f76-72
0.465
MAR-TRE-d0525fbf-3
0.465
MAR-TRE-d0525fbf-9
0.464
MAR-TRE-f6f5f473-12
0.464
MAR-TRE-3e4e6814-25
0.459
MAR-TRE-7f7bb9f0-73
0.456
MAR-TRE-67513f76-15
0.455
MAR-TRE-d0525fbf-70
0.455
MAR-TRE-7f7bb9f0-3
0.455
MAR-TRE-74c6519b-70
0.455
MAR-TRE-d0525fbf-68
0.451
MAR-TRE-3e4e6814-26
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MAR-TRE-d0525fbf-71
0.447
MAR-TRE-7f7bb9f0-1
0.447
MAR-TRE-4b834d9a-84
0.446
MAR-TRE-d0525fbf-6
0.446
MAR-TRE-3e4e6814-2
0.446
MAR-TRE-3e4e6814-4
0.446
MAR-TRE-b77b7921-48
0.446
MAR-TRE-d0525fbf-8
0.441
MAR-TRE-04c86cea-33
0.441
MAR-TRE-3e4e6814-20
0.441
MAR-TRE-f6f5f473-22
0.440
MAR-TRE-d0525fbf-2
0.437
MAR-TRE-b77b7921-20
0.436
MAR-TRE-d0525fbf-44
0.433
MAR-TRE-04c86cea-25
0.431
MAR-TRE-f6f5f473-50
0.430
MAR-TRE-f6f5f473-89
0.427
MAR-TRE-f6f5f473-26
0.426
MAR-TRE-f6f5f473-88
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MAR-TRE-9c797165-100
0.423
MAR-TRE-d0525fbf-89
0.422
MAR-TRE-f6f5f473-16
0.420
MAR-TRE-04c86cea-57
0.416
MAR-TRE-7f7bb9f0-65
0.415
MAR-TRE-3e4e6814-10
0.415
MAR-TRE-f6f5f473-72
0.408
MAR-TRE-f6f5f473-62
0.408
MAR-TRE-f6f5f473-96
0.408
MAR-TRE-f6f5f473-45
0.408
MAR-TRE-3e4e6814-33
0.404