Molecular Properties | |
SMILES: | COc1ccc(-n2c(=O)n(CC(=O)NCc3cccc(Cl)c3)c3cccnc32)cc1 |
MW: | 422.11 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 78.15 |
cLogP: | 3.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5506724323 |
MolPort: | MolPort-028-859-002 |
MAR-TRE-3e4e6814-2
0.793
MAR-TRE-d0525fbf-8
0.784
MAR-TRE-d0525fbf-9
0.767
MAR-TRE-4b834d9a-23
0.753
MAR-TRE-3e4e6814-21
0.716
MAR-TRE-7f7bb9f0-3
0.711
MAR-TRE-d0525fbf-37
0.708
MAR-TRE-04c86cea-33
0.688
MAR-TRE-d0525fbf-68
0.681
MAR-TRE-d0525fbf-12
0.674
MAR-TRE-04c86cea-58
0.667
MAR-TRE-d0525fbf-44
0.656
MAR-TRE-7f7bb9f0-1
0.639
MAR-TRE-d0525fbf-3
0.632
MAR-TRE-d0525fbf-2
0.629
MAR-TRE-4b834d9a-69
0.624
MAR-TRE-f6f5f473-22
0.621
MAR-TRE-7f7bb9f0-70
0.621
MAR-TRE-74c6519b-70
0.621
MAR-TRE-b77b7921-48
0.608
MAR-TRE-d0525fbf-79
0.606
MAR-TRE-d0525fbf-70
0.602
MAR-TRE-f6f5f473-55
0.598
MAR-TRE-4b834d9a-35
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MAR-TRE-04c86cea-60
0.589
MAR-TRE-74c6519b-45
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MAR-TRE-f6f5f473-94
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MAR-TRE-4b834d9a-60
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MAR-TRE-3e4e6814-73
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MAR-TRE-04c86cea-21
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MAR-TRE-74c6519b-39
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MAR-TRE-04c86cea-80
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MAR-TRE-f6f5f473-96
0.566
MAR-TRE-74c6519b-30
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MAR-TRE-f6f5f473-17
0.562
MAR-TRE-d0525fbf-71
0.559
MAR-TRE-67513f76-11
0.558
MAR-TRE-7f7bb9f0-73
0.553
MAR-TRE-f6f5f473-34
0.547
MAR-TRE-74c6519b-77
0.545
MAR-TRE-74c6519b-92
0.536
MAR-TRE-04c86cea-52
0.531
MAR-TRE-f6f5f473-20
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MAR-TRE-04c86cea-57
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MAR-TRE-04c86cea-70
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MAR-TRE-9c797165-78
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MAR-TRE-3e4e6814-86
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MAR-TRE-9c797165-23
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MAR-TRE-4b834d9a-12
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MAR-TRE-4b834d9a-22
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MAR-TRE-9c797165-85
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MAR-TRE-4b834d9a-76
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MAR-TRE-b77b7921-98
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MAR-TRE-3e4e6814-18
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MAR-TRE-7f7bb9f0-22
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MAR-TRE-4b834d9a-10
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MAR-TRE-4b834d9a-3
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MAR-TRE-3e4e6814-4
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MAR-TRE-04c86cea-69
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MAR-TRE-f6f5f473-68
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MAR-TRE-04c86cea-20
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MAR-TRE-d0525fbf-21
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MAR-TRE-b77b7921-20
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MAR-TRE-74c6519b-86
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MAR-TRE-f6f5f473-12
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MAR-TRE-3e4e6814-25
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MAR-TRE-b77b7921-43
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MAR-TRE-4b834d9a-54
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MAR-TRE-b77b7921-8
0.481
MAR-TRE-4b834d9a-39
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MAR-TRE-04c86cea-56
0.476
MAR-TRE-7f7bb9f0-71
0.471
MAR-TRE-4b834d9a-36
0.471
MAR-TRE-04c86cea-45
0.465
MAR-TRE-b77b7921-59
0.465
MAR-TRE-3e4e6814-26
0.463
MAR-TRE-b77b7921-27
0.462
MAR-TRE-7f7bb9f0-78
0.458
MAR-TRE-3e4e6814-69
0.457
MAR-TRE-67513f76-72
0.450
MAR-TRE-f6f5f473-72
0.449
MAR-TRE-f6f5f473-53
0.446
MAR-TRE-b77b7921-68
0.445
MAR-TRE-d0525fbf-22
0.444
MAR-TRE-3e4e6814-60
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MAR-TRE-67513f76-15
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MAR-TRE-b77b7921-11
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MAR-TRE-67513f76-23
0.436
MAR-TRE-4b834d9a-2
0.436
MAR-TRE-74c6519b-25
0.436
MAR-TRE-f6f5f473-45
0.435
MAR-TRE-b77b7921-10
0.434
MAR-TRE-4b834d9a-25
0.431
MAR-TRE-3e4e6814-75
0.430
MAR-TRE-67513f76-62
0.430
MAR-TRE-04c86cea-72
0.430
MAR-TRE-74c6519b-72
0.427
MAR-TRE-f6f5f473-16
0.421
MAR-TRE-04c86cea-36
0.415