Molecular Properties | |
SMILES: | CCC(=O)Nc1cccc(CNC(=O)c2cncnc2)c1 |
MW: | 284.13 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 83.98 |
cLogP: | 1.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-53
0.820
MAR-TRE-9d18ae8c-54
0.754
MAR-TRE-799db12b-24
0.754
MAR-TRE-799db12b-33
0.754
MAR-TRE-799db12b-16
0.723
MAR-TRE-799db12b-27
0.723
MAR-TRE-9d18ae8c-30
0.716
MAR-TRE-9d18ae8c-43
0.696
MAR-TRE-799db12b-76
0.690
MAR-TRE-799db12b-2
0.676
MAR-TRE-799db12b-3
0.676
MAR-TRE-9d18ae8c-18
0.676
MAR-TRE-9d18ae8c-11
0.671
MAR-TRE-9d18ae8c-52
0.667
MAR-TRE-4f781e27-2
0.667
MAR-TRE-9d18ae8c-7
0.657
MAR-TRE-799db12b-51
0.648
MAR-TRE-66ac689e-73
0.642
MAR-TRE-799db12b-14
0.639
MAR-TRE-799db12b-97
0.639
MAR-TRE-92684b97-6
0.639
MAR-TRE-9d18ae8c-34
0.639
MAR-TRE-a9136c7b-11
0.632
MAR-TRE-9d18ae8c-10
0.630
MAR-TRE-9d18ae8c-16
0.622
MAR-TRE-799db12b-4
0.605
MAR-TRE-9d18ae8c-36
0.575
MAR-TRE-9d18ae8c-49
0.545
RAL-MED-2de63afb-12
0.543
MAR-TRE-799db12b-44
0.521
MAR-TRE-92684b97-81
0.521
MAR-TRE-8190bb11-31
0.519
MAR-TRE-92684b97-82
0.514
MAR-TRE-9d18ae8c-6
0.514
MAR-TRE-8190bb11-80
0.513
MAR-TRE-66ac689e-1
0.506
MAR-TRE-9d18ae8c-46
0.500
MAR-TRE-8190bb11-8
0.500
MAR-TRE-8190bb11-34
0.481
MAR-TRE-66ac689e-33
0.474
MAR-TRE-92684b97-11
0.466
MAR-TRE-4f781e27-43
0.466
MAR-TRE-799db12b-69
0.463
MAR-TRE-be9ff7d2-17
0.459
MAR-TRE-66ac689e-12
0.459
MAR-TRE-66ac689e-54
0.457
MAR-TRE-9d18ae8c-65
0.451
MAR-TRE-8190bb11-13
0.451
MAR-TRE-8190bb11-24
0.443
MAR-TRE-8190bb11-85
0.443
MAR-TRE-4f781e27-49
0.443
MAR-TRE-92684b97-89
0.442
MAR-TRE-799db12b-18
0.440
AAR-UNI-c25c2f1e-65
0.440
MAR-TRE-799db12b-35
0.438
MAR-TRE-92684b97-78
0.435
MAR-TRE-799db12b-39
0.429
MAR-TRE-8190bb11-4
0.425
MAR-TRE-4f781e27-92
0.423
MAR-TRE-92684b97-55
0.423
MAR-TRE-799db12b-9
0.420
MAR-TRE-799db12b-43
0.420
MAR-TRE-4f781e27-47
0.420
MAR-TRE-9d18ae8c-89
0.419
MAR-TRE-4f781e27-99
0.419
MAR-TRE-8190bb11-86
0.418
MAR-TRE-66ac689e-31
0.412
MAR-TRE-4f781e27-88
0.412
MAR-TRE-66ac689e-72
0.403
MAR-TRE-c317dd82-63
0.400
MAR-TRE-799db12b-40
0.398
MAR-TRE-66ac689e-26
0.397
MAR-TRE-799db12b-52
0.395
MAR-TRE-8190bb11-50
0.395
MAR-TRE-e82e6c98-54
0.392
MAR-TRE-be9ff7d2-90
0.392
MAR-TRE-4f781e27-55
0.388
MAR-TRE-a9136c7b-31
0.386
MAR-TRE-be9ff7d2-67
0.386
MAR-TRE-66ac689e-65
0.386
MAR-TRE-9d18ae8c-48
0.385
MAR-TRE-4f781e27-28
0.385
MAR-TRE-66ac689e-21
0.383
MAR-TRE-92684b97-53
0.383
MAR-TRE-e82e6c98-50
0.380
MAR-TRE-e82e6c98-12
0.380
MAR-TRE-a9136c7b-28
0.380
MAR-TRE-4f781e27-100
0.375
MAR-TRE-9d18ae8c-2
0.375
MAR-TRE-799db12b-84
0.372
MAR-TRE-c317dd82-55
0.372
WIL-UNI-1faa9b10-23
0.372
MAR-TRE-e82e6c98-25
0.371
MAR-TRE-92684b97-14
0.370
MAR-TRE-66ac689e-8
0.370
MAR-TRE-66ac689e-20
0.370
MAR-TRE-9d18ae8c-62
0.370
MAR-TRE-4f781e27-83
0.369
MAR-TRE-8190bb11-42
0.368
AAR-UNI-c25c2f1e-82
0.367