Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(C2CCCC2)c2ncccc21)NCc1ccc(Cl)cc1 |
MW: | 384.14 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 68.92 |
cLogP: | 3.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-010-917-542 |
MAR-TRE-f6f5f473-16
0.947
MAR-TRE-f6f5f473-43
0.810
MAR-TRE-04c86cea-63
0.800
MAR-TRE-04c86cea-56
0.780
MAR-TRE-f6f5f473-88
0.768
MAR-TRE-f6f5f473-82
0.744
MAR-TRE-f6f5f473-62
0.733
MAR-TRE-f6f5f473-96
0.713
MAR-TRE-04c86cea-72
0.690
MAR-TRE-3e4e6814-19
0.663
MAR-TRE-3e4e6814-33
0.663
MAR-TRE-f6f5f473-72
0.656
MAR-TRE-f6f5f473-45
0.656
MAR-TRE-f6f5f473-50
0.652
MAR-TRE-f6f5f473-26
0.644
MAR-TRE-74c6519b-16
0.630
MAR-TRE-04c86cea-20
0.621
MAR-TRE-04c86cea-9
0.613
MAR-TRE-04c86cea-25
0.596
MAR-TRE-04c86cea-21
0.584
MAR-TRE-4b834d9a-35
0.565
MAR-TRE-d0525fbf-9
0.553
MAR-TRE-04c86cea-89
0.541
MAR-TRE-b77b7921-5
0.531
MAR-TRE-04c86cea-11
0.531
MAR-TRE-4b834d9a-5
0.526
MAR-TRE-4b834d9a-6
0.500
MAR-TRE-4b834d9a-13
0.500
MAR-TRE-4b834d9a-4
0.485
MAR-TRE-f6f5f473-34
0.469
MAR-TRE-4b834d9a-60
0.468
MAR-TRE-b77b7921-54
0.457
MAR-TRE-74c6519b-30
0.455
MAR-TRE-04c86cea-52
0.454
MAR-TRE-f6f5f473-20
0.454
MAR-TRE-f6f5f473-94
0.452
MAR-TRE-3e4e6814-21
0.450
MAR-TRE-f6f5f473-17
0.440
MAR-TRE-f6f5f473-66
0.438
MAR-TRE-74c6519b-73
0.436
MAR-TRE-4b834d9a-39
0.432
MAR-TRE-d0525fbf-37
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MAR-TRE-3e4e6814-73
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MAR-TRE-f6f5f473-55
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MAR-TRE-74c6519b-39
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MAR-TRE-67513f76-11
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MAR-TRE-4b834d9a-23
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MAR-TRE-d0525fbf-6
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MAR-TRE-b77b7921-7
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MAR-TRE-4b834d9a-18
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MAR-TRE-04c86cea-73
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MAR-TRE-74c6519b-6
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MAR-TRE-b77b7921-4
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MAR-TRE-3e4e6814-5
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MAR-TRE-04c86cea-6
0.400
MAR-TRE-b77b7921-8
0.398
MAR-TRE-4b834d9a-69
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MAR-TRE-04c86cea-60
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MAR-TRE-04c86cea-80
0.392
MAR-TRE-3e4e6814-14
0.392
MAR-TRE-7f7bb9f0-22
0.390
MAR-TRE-74c6519b-5
0.390
MAR-TRE-04c86cea-1
0.390
MAR-TRE-3e4e6814-2
0.389
MAR-TRE-4b834d9a-14
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MAR-TRE-4b834d9a-36
0.387
MAR-TRE-4b834d9a-22
0.387
MAR-TRE-04c86cea-4
0.387
MAR-TRE-f6f5f473-53
0.386
MAR-TRE-d0525fbf-5
0.385
MAR-TRE-d0525fbf-8
0.385
MAR-TRE-7f7bb9f0-3
0.383
MAR-TRE-74c6519b-45
0.383
MAR-TRE-74c6519b-70
0.383
MAR-TRE-f6f5f473-22
0.383
MAR-TRE-04c86cea-69
0.382
MAR-TRE-d0525fbf-79
0.381
MAR-TRE-b77b7921-11
0.380
MAR-TRE-b77b7921-59
0.379
MAR-TRE-04c86cea-45
0.379
MAR-TRE-7f7bb9f0-1
0.378
MAR-TRE-f6f5f473-21
0.377
MAR-TRE-b77b7921-3
0.377
MAR-TRE-4b834d9a-2
0.376
MAR-TRE-3e4e6814-4
0.376
MAR-TRE-b77b7921-48
0.376
MAR-TRE-9c797165-97
0.374
MAR-TRE-d0525fbf-39
0.374
MAR-TRE-3e4e6814-11
0.374
MAR-TRE-4b834d9a-11
0.374
MAR-TRE-b77b7921-43
0.374
MAR-TRE-d0525fbf-70
0.373
MAR-TRE-3e4e6814-12
0.373
MAR-TRE-4b834d9a-54
0.371
MAR-TRE-7f7bb9f0-70
0.370
MAR-TRE-d0525fbf-12
0.370
MAR-TRE-74c6519b-27
0.369
MAR-TRE-4b834d9a-76
0.368
MAR-TRE-d0525fbf-21
0.368
MAR-TRE-d0525fbf-3
0.367