Molecular Properties | |
SMILES: | O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1cncnc1 |
MW: | 325.15 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 87.22 |
cLogP: | 2.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-66ac689e-37
0.639
MAR-TRE-9d18ae8c-34
0.636
MAR-TRE-9d18ae8c-53
0.630
MAR-TRE-799db12b-16
0.622
MAR-TRE-799db12b-27
0.622
MAR-TRE-9d18ae8c-16
0.620
MAR-TRE-799db12b-3
0.605
MAR-TRE-799db12b-24
0.605
MAR-TRE-799db12b-33
0.605
MAR-TRE-9d18ae8c-18
0.605
MAR-TRE-9d18ae8c-54
0.605
MAR-TRE-799db12b-2
0.605
MAR-TRE-799db12b-4
0.605
MAR-TRE-799db12b-51
0.603
MAR-TRE-9d18ae8c-30
0.597
MAR-TRE-9d18ae8c-52
0.597
MAR-TRE-4f781e27-2
0.597
MAR-TRE-a9136c7b-11
0.590
MAR-TRE-9d18ae8c-7
0.590
MAR-TRE-9d18ae8c-11
0.582
MAR-TRE-9d18ae8c-43
0.582
MAR-TRE-799db12b-76
0.580
MAR-TRE-799db12b-97
0.575
MAR-TRE-92684b97-6
0.575
MAR-TRE-9d18ae8c-10
0.568
MAR-TRE-66ac689e-73
0.553
MAR-TRE-9d18ae8c-36
0.537
MAR-TRE-9d18ae8c-49
0.512
MAR-TRE-9d18ae8c-6
0.500
MAR-TRE-9d18ae8c-65
0.494
MAR-TRE-799db12b-69
0.488
MAR-TRE-8190bb11-8
0.488
MAR-TRE-92684b97-81
0.487
MAR-TRE-66ac689e-54
0.482
MAR-TRE-9d18ae8c-46
0.470
MAR-TRE-8190bb11-80
0.464
MAR-TRE-8190bb11-31
0.453
MAR-TRE-8190bb11-34
0.452
MAR-TRE-799db12b-44
0.451
MAR-TRE-799db12b-18
0.449
MAR-TRE-92684b97-82
0.446
RAL-MED-2de63afb-12
0.432
MAR-TRE-66ac689e-33
0.430
MAR-TRE-799db12b-9
0.430
MAR-TRE-799db12b-40
0.425
MAR-TRE-66ac689e-1
0.425
MAR-TRE-92684b97-11
0.420
MAR-TRE-66ac689e-21
0.412
MAR-TRE-66ac689e-26
0.410
MAR-TRE-66ac689e-31
0.407
MAR-TRE-4f781e27-92
0.400
MAR-TRE-a9136c7b-31
0.398
MAR-TRE-e82e6c98-25
0.398
MAR-TRE-be9ff7d2-17
0.398
MAR-TRE-66ac689e-12
0.398
AAR-UNI-c25c2f1e-65
0.398
MAR-TRE-8190bb11-86
0.395
MAR-TRE-9d18ae8c-89
0.395
MAR-TRE-4f781e27-88
0.391
MAR-TRE-92684b97-78
0.390
MAR-TRE-799db12b-48
0.386
MAR-TRE-8190bb11-4
0.386
MAR-TRE-4f781e27-43
0.386
MAR-TRE-92684b97-55
0.384
MAR-TRE-92684b97-89
0.384
MAR-TRE-8190bb11-99
0.383
MAR-TRE-8190bb11-85
0.380
MAR-TRE-8190bb11-24
0.380
MAR-TRE-799db12b-35
0.378
MAR-TRE-799db12b-52
0.375
MAR-TRE-66ac689e-29
0.375
MAR-TRE-8190bb11-13
0.370
MAR-TRE-66ac689e-20
0.368
MAR-TRE-799db12b-72
0.367
MAR-TRE-66ac689e-47
0.367
MAR-TRE-4f781e27-47
0.367
MAR-TRE-4f781e27-49
0.362
MAR-TRE-4f781e27-99
0.361
MAR-TRE-e82e6c98-12
0.360
MAR-TRE-799db12b-11
0.359
MAR-TRE-8190bb11-50
0.357
MAR-TRE-a9136c7b-14
0.356
MAR-TRE-799db12b-39
0.356
MAR-TRE-9d18ae8c-2
0.356
MAR-TRE-be9ff7d2-90
0.354
MAR-TRE-a9136c7b-57
0.352
MAR-TRE-4f781e27-48
0.352
MAR-TRE-a9136c7b-5
0.351
MAR-TRE-a9136c7b-4
0.350
MAR-TRE-8190bb11-42
0.349
MAR-TRE-4f781e27-28
0.349
MAR-TRE-66ac689e-72
0.349
AAR-UNI-c25c2f1e-2
0.349
MAR-TRE-799db12b-89
0.348
MAR-TRE-92684b97-53
0.348
MAR-TRE-be9ff7d2-67
0.346
MAR-TRE-c317dd82-81
0.344
MAR-TRE-4f781e27-65
0.344
MAR-TRE-e82e6c98-5
0.344
MAR-TRE-66ac689e-34
0.344