Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(-c2ccccc2)c2ncccc21)NCc1ccccc1 |
MW: | 358.14 |
Fraction sp3: | 0.1 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 68.92 |
cLogP: | 2.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7360087260 |
MolPort: | MolPort-010-917-429 |
MAR-TRE-f6f5f473-34
0.808
MAR-TRE-04c86cea-21
0.808
MAR-TRE-f6f5f473-55
0.808
MAR-TRE-f6f5f473-20
0.808
MAR-TRE-3e4e6814-73
0.808
MAR-TRE-04c86cea-52
0.808
MAR-TRE-4b834d9a-23
0.787
MAR-TRE-04c86cea-60
0.744
MAR-TRE-d0525fbf-79
0.722
MAR-TRE-04c86cea-58
0.707
MAR-TRE-74c6519b-45
0.695
MAR-TRE-04c86cea-69
0.692
MAR-TRE-04c86cea-45
0.684
MAR-TRE-4b834d9a-60
0.675
MAR-TRE-3e4e6814-18
0.662
MAR-TRE-b77b7921-27
0.651
MAR-TRE-3e4e6814-69
0.649
MAR-TRE-b77b7921-43
0.643
MAR-TRE-4b834d9a-36
0.643
MAR-TRE-74c6519b-39
0.642
MAR-TRE-67513f76-11
0.642
MAR-TRE-f6f5f473-53
0.637
MAR-TRE-f6f5f473-17
0.627
MAR-TRE-4b834d9a-35
0.627
MAR-TRE-74c6519b-30
0.627
MAR-TRE-04c86cea-80
0.622
MAR-TRE-74c6519b-77
0.621
MAR-TRE-3e4e6814-21
0.619
MAR-TRE-d0525fbf-9
0.612
MAR-TRE-d0525fbf-37
0.612
MAR-TRE-4b834d9a-69
0.600
MAR-TRE-f6f5f473-82
0.595
MAR-TRE-3e4e6814-5
0.590
MAR-TRE-d0525fbf-6
0.584
MAR-TRE-3e4e6814-2
0.584
MAR-TRE-f6f5f473-22
0.580
MAR-TRE-74c6519b-70
0.580
MAR-TRE-7f7bb9f0-3
0.580
MAR-TRE-d0525fbf-8
0.578
MAR-TRE-74c6519b-92
0.576
MAR-TRE-9c797165-23
0.576
MAR-TRE-b77b7921-100
0.571
MAR-TRE-b77b7921-98
0.563
MAR-TRE-7f7bb9f0-70
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MAR-TRE-04c86cea-33
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MAR-TRE-d0525fbf-68
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MAR-TRE-f6f5f473-68
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MAR-TRE-4b834d9a-54
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MAR-TRE-b77b7921-48
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MAR-TRE-4b834d9a-76
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MAR-TRE-d0525fbf-12
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MAR-TRE-d0525fbf-70
0.543
MAR-TRE-3e4e6814-12
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MAR-TRE-3e4e6814-86
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MAR-TRE-74c6519b-86
0.539
MAR-TRE-f6f5f473-12
0.539
MAR-TRE-d0525fbf-3
0.538
MAR-TRE-4b834d9a-32
0.537
MAR-TRE-04c86cea-70
0.533
MAR-TRE-9c797165-85
0.528
MAR-TRE-d0525fbf-21
0.528
MAR-TRE-7f7bb9f0-22
0.522
MAR-TRE-74c6519b-27
0.517
MAR-TRE-3e4e6814-7
0.517
MAR-TRE-9c797165-78
0.512
MAR-TRE-3e4e6814-14
0.511
MAR-TRE-74c6519b-72
0.511
MAR-TRE-b77b7921-20
0.505
MAR-TRE-d0525fbf-2
0.505
MAR-TRE-d0525fbf-44
0.500
MAR-TRE-7f7bb9f0-1
0.500
MAR-TRE-7f7bb9f0-71
0.500
MAR-TRE-3e4e6814-4
0.500
MAR-TRE-3e4e6814-25
0.500
MAR-TRE-b77b7921-46
0.495
MAR-TRE-b77b7921-59
0.494
MAR-TRE-7f7bb9f0-78
0.488
MAR-TRE-d0525fbf-71
0.485
MAR-TRE-04c86cea-6
0.484
MAR-TRE-7f7bb9f0-73
0.480
MAR-TRE-67513f76-23
0.477
MAR-TRE-3e4e6814-75
0.471
MAR-TRE-67513f76-62
0.468
MAR-TRE-3e4e6814-60
0.468
MAR-TRE-b77b7921-1
0.467
MAR-TRE-4b834d9a-52
0.467
MAR-TRE-67513f76-15
0.464
MAR-TRE-f6f5f473-88
0.462
MAR-TRE-f6f5f473-16
0.457
MAR-TRE-f6f5f473-43
0.457
MAR-TRE-b77b7921-54
0.453
MAR-TRE-04c86cea-23
0.453
MAR-TRE-04c86cea-36
0.452
MAR-TRE-04c86cea-63
0.452
MAR-TRE-74c6519b-73
0.448
MAR-TRE-67513f76-72
0.444
MAR-TRE-3e4e6814-26
0.444
MAR-TRE-f6f5f473-62
0.443
MAR-TRE-4b834d9a-39
0.443
MAR-TRE-04c86cea-56
0.442