Molecular Properties | |
SMILES: | COc1ccc(-n2c(=O)n(CC(=O)NCc3ccccc3Cl)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-2161157901 |
MolPort: | MolPort-028-859-003 |
MAR-TRE-4b834d9a-76
0.774
MAR-TRE-04c86cea-69
0.768
MAR-TRE-d0525fbf-44
0.764
MAR-TRE-d0525fbf-3
0.759
MAR-TRE-4b834d9a-23
0.709
MAR-TRE-d0525fbf-9
0.705
MAR-TRE-7f7bb9f0-1
0.688
MAR-TRE-d0525fbf-2
0.677
MAR-TRE-3e4e6814-21
0.674
MAR-TRE-d0525fbf-6
0.674
MAR-TRE-d0525fbf-37
0.667
MAR-TRE-7f7bb9f0-3
0.652
MAR-TRE-04c86cea-70
0.641
MAR-TRE-3e4e6814-2
0.638
MAR-TRE-d0525fbf-8
0.632
MAR-TRE-74c6519b-77
0.621
MAR-TRE-d0525fbf-71
0.619
MAR-TRE-f6f5f473-68
0.609
MAR-TRE-7f7bb9f0-73
0.596
MAR-TRE-74c6519b-86
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MAR-TRE-f6f5f473-12
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MAR-TRE-4b834d9a-54
0.591
MAR-TRE-b77b7921-43
0.589
MAR-TRE-4b834d9a-55
0.573
MAR-TRE-4b834d9a-95
0.573
MAR-TRE-04c86cea-45
0.570
MAR-TRE-d0525fbf-79
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MAR-TRE-7f7bb9f0-70
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MAR-TRE-f6f5f473-55
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MAR-TRE-f6f5f473-50
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MAR-TRE-04c86cea-33
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MAR-TRE-3e4e6814-86
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MAR-TRE-7f7bb9f0-22
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MAR-TRE-04c86cea-58
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MAR-TRE-d0525fbf-68
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MAR-TRE-f6f5f473-94
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MAR-TRE-4b834d9a-60
0.543
MAR-TRE-3e4e6814-73
0.543
MAR-TRE-04c86cea-21
0.543
MAR-TRE-4b834d9a-35
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MAR-TRE-04c86cea-57
0.541
MAR-TRE-3e4e6814-4
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MAR-TRE-74c6519b-39
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MAR-TRE-9c797165-85
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MAR-TRE-d0525fbf-21
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MAR-TRE-b77b7921-98
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MAR-TRE-74c6519b-92
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MAR-TRE-d0525fbf-89
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MAR-TRE-b77b7921-20
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MAR-TRE-f6f5f473-34
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MAR-TRE-74c6519b-30
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MAR-TRE-f6f5f473-17
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MAR-TRE-4b834d9a-36
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MAR-TRE-b77b7921-48
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MAR-TRE-9c797165-78
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MAR-TRE-67513f76-11
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MAR-TRE-04c86cea-80
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MAR-TRE-74c6519b-45
0.520
MAR-TRE-d0525fbf-70
0.520
MAR-TRE-3e4e6814-18
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MAR-TRE-9c797165-23
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MAR-TRE-b77b7921-27
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MAR-TRE-04c86cea-52
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MAR-TRE-f6f5f473-20
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MAR-TRE-74c6519b-70
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MAR-TRE-f6f5f473-22
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MAR-TRE-4b834d9a-69
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MAR-TRE-3e4e6814-69
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MAR-TRE-04c86cea-60
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MAR-TRE-b77b7921-59
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MAR-TRE-f6f5f473-53
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MAR-TRE-7f7bb9f0-78
0.468
MAR-TRE-3e4e6814-25
0.466
MAR-TRE-3e4e6814-60
0.466
MAR-TRE-74c6519b-20
0.462
MAR-TRE-d0525fbf-43
0.459
MAR-TRE-04c86cea-92
0.456
MAR-TRE-04c86cea-25
0.453
MAR-TRE-7f7bb9f0-71
0.452
MAR-TRE-67513f76-62
0.452
MAR-TRE-4b834d9a-8
0.449
MAR-TRE-b77b7921-28
0.449
MAR-TRE-74c6519b-4
0.448
MAR-TRE-d0525fbf-29
0.448
MAR-TRE-67513f76-23
0.444
MAR-TRE-4b834d9a-39
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MAR-TRE-04c86cea-56
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MAR-TRE-d0525fbf-23
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MAR-TRE-b77b7921-68
0.440
MAR-TRE-3e4e6814-75
0.439
MAR-TRE-3e4e6814-90
0.436
MAR-TRE-b77b7921-100
0.436
MAR-TRE-74c6519b-72
0.435
MAR-TRE-3e4e6814-26
0.431
MAR-TRE-04c86cea-12
0.426
MAR-TRE-74c6519b-78
0.424
MAR-TRE-9c797165-25
0.423
MAR-TRE-67513f76-15
0.422
MAR-TRE-4b834d9a-33
0.420
MAR-TRE-67513f76-72
0.418