Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(C2CCCCC2)c2ncccc21)NCc1ccccc1Cl |
MW: | 398.15 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 68.92 |
cLogP: | 3.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3650357527 |
MolPort: | MolPort-010-917-510 |
MAR-TRE-f6f5f473-26
0.756
MAR-TRE-04c86cea-25
0.739
MAR-TRE-74c6519b-16
0.700
MAR-TRE-f6f5f473-82
0.698
MAR-TRE-f6f5f473-16
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MAR-TRE-04c86cea-9
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MAR-TRE-f6f5f473-96
0.670
MAR-TRE-f6f5f473-88
0.663
MAR-TRE-3e4e6814-19
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MAR-TRE-04c86cea-36
0.652
MAR-TRE-3e4e6814-33
0.640
MAR-TRE-f6f5f473-45
0.634
MAR-TRE-f6f5f473-62
0.634
MAR-TRE-f6f5f473-72
0.634
MAR-TRE-f6f5f473-43
0.622
MAR-TRE-04c86cea-63
0.615
MAR-TRE-04c86cea-56
0.602
MAR-TRE-04c86cea-20
0.602
MAR-TRE-04c86cea-69
0.600
MAR-TRE-04c86cea-72
0.596
MAR-TRE-04c86cea-89
0.588
MAR-TRE-4b834d9a-76
0.574
MAR-TRE-4b834d9a-55
0.562
MAR-TRE-d0525fbf-12
0.557
MAR-TRE-04c86cea-11
0.545
MAR-TRE-4b834d9a-95
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MAR-TRE-b77b7921-43
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MAR-TRE-04c86cea-92
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MAR-TRE-74c6519b-20
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MAR-TRE-74c6519b-4
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MAR-TRE-d0525fbf-29
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MAR-TRE-b77b7921-28
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MAR-TRE-04c86cea-45
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MAR-TRE-d0525fbf-44
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MAR-TRE-f6f5f473-53
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MAR-TRE-4b834d9a-36
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MAR-TRE-4b834d9a-54
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MAR-TRE-f6f5f473-68
0.427
MAR-TRE-7f7bb9f0-22
0.419
MAR-TRE-74c6519b-86
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MAR-TRE-f6f5f473-12
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MAR-TRE-04c86cea-70
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MAR-TRE-3e4e6814-90
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MAR-TRE-b77b7921-59
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MAR-TRE-d0525fbf-3
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MAR-TRE-b77b7921-27
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MAR-TRE-3e4e6814-4
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MAR-TRE-74c6519b-78
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MAR-TRE-04c86cea-21
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MAR-TRE-d0525fbf-21
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MAR-TRE-4b834d9a-33
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MAR-TRE-4b834d9a-8
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MAR-TRE-f6f5f473-61
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MAR-TRE-d0525fbf-11
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MAR-TRE-f6f5f473-94
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MAR-TRE-7f7bb9f0-1
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MAR-TRE-d0525fbf-43
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MAR-TRE-74c6519b-77
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MAR-TRE-04c86cea-55
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MAR-TRE-04c86cea-88
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MAR-TRE-f6f5f473-34
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MAR-TRE-04c86cea-74
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MAR-TRE-b77b7921-20
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MAR-TRE-04c86cea-12
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MAR-TRE-d0525fbf-7
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MAR-TRE-7f7bb9f0-73
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MAR-TRE-b77b7921-19
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MAR-TRE-67513f76-62
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MAR-TRE-3e4e6814-60
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MAR-TRE-4b834d9a-35
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MAR-TRE-d0525fbf-38
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MAR-TRE-d0525fbf-2
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MAR-TRE-f6f5f473-20
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MAR-TRE-f6f5f473-55
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MAR-TRE-04c86cea-52
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MAR-TRE-3e4e6814-73
0.371
MAR-TRE-f6f5f473-89
0.371
MAR-TRE-04c86cea-60
0.370
MAR-TRE-4b834d9a-60
0.369
MAR-TRE-d0525fbf-71
0.368
MAR-TRE-d0525fbf-9
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MAR-TRE-b77b7921-29
0.367
MAR-TRE-4b834d9a-23
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MAR-TRE-3e4e6814-86
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MAR-TRE-74c6519b-10
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MAR-TRE-9c797165-23
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MAR-TRE-74c6519b-92
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MAR-TRE-74c6519b-30
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MAR-TRE-9c797165-25
0.361
MAR-TRE-3e4e6814-75
0.359
MAR-TRE-d0525fbf-28
0.358
MAR-TRE-9c797165-85
0.358
MAR-TRE-d0525fbf-79
0.358
MAR-TRE-3e4e6814-21
0.358
MAR-TRE-4b834d9a-69
0.358
MAR-TRE-7f7bb9f0-9
0.357
MAR-TRE-74c6519b-39
0.355
MAR-TRE-04c86cea-80
0.355
MAR-TRE-67513f76-11
0.355