Molecular Properties | |
SMILES: | O=C(O)CCCc1ccc(CNC(=O)c2cncnc2)cc1 |
MW: | 299.13 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 92.18 |
cLogP: | 1.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-92684b97-78
0.649
MAR-TRE-66ac689e-26
0.552
MAR-TRE-8190bb11-24
0.548
MAR-TRE-8190bb11-85
0.548
MAR-TRE-4f781e27-99
0.538
MAR-TRE-66ac689e-20
0.536
MAR-TRE-8190bb11-13
0.531
MAR-TRE-8190bb11-50
0.530
MAR-TRE-66ac689e-21
0.529
MAR-TRE-799db12b-52
0.521
MAR-TRE-799db12b-35
0.515
MAR-TRE-799db12b-72
0.467
MAR-TRE-92684b97-82
0.446
MAR-TRE-92684b97-11
0.437
MAR-TRE-4f781e27-92
0.432
MAR-TRE-66ac689e-12
0.431
MAR-TRE-9d18ae8c-6
0.427
MAR-TRE-66ac689e-1
0.423
MAR-TRE-4f781e27-88
0.421
MAR-TRE-e82e6c98-54
0.420
MAR-TRE-66ac689e-37
0.419
MAR-TRE-799db12b-84
0.417
MAR-TRE-8190bb11-42
0.414
MAR-TRE-9d18ae8c-53
0.413
MAR-TRE-92684b97-81
0.413
MAR-TRE-be9ff7d2-17
0.411
MAR-TRE-4f781e27-48
0.410
MAR-TRE-8190bb11-99
0.410
MAR-TRE-e82e6c98-23
0.408
MAR-TRE-8190bb11-86
0.408
MAR-TRE-e82e6c98-68
0.406
MAR-TRE-9d18ae8c-81
0.403
MAR-TRE-66ac689e-73
0.400
MAR-TRE-799db12b-24
0.397
MAR-TRE-9d18ae8c-18
0.397
MAR-TRE-799db12b-97
0.395
MAR-TRE-9d18ae8c-34
0.395
MAR-TRE-799db12b-14
0.395
MAR-TRE-799db12b-44
0.395
MAR-TRE-92684b97-74
0.394
MAR-TRE-be9ff7d2-67
0.394
MAR-TRE-9d18ae8c-52
0.392
MAR-TRE-a9136c7b-54
0.392
MAR-TRE-9d18ae8c-65
0.390
MAR-TRE-799db12b-16
0.390
MAR-TRE-799db12b-27
0.390
MAR-TRE-92684b97-54
0.387
MAR-TRE-9d18ae8c-16
0.386
MAR-TRE-799db12b-51
0.383
MAR-TRE-799db12b-69
0.383
MAR-TRE-be9ff7d2-90
0.380
MAR-TRE-92684b97-64
0.380
MAR-TRE-9d18ae8c-54
0.380
MAR-TRE-799db12b-33
0.380
MAR-TRE-9d18ae8c-83
0.380
MAR-TRE-799db12b-2
0.380
MAR-TRE-8190bb11-34
0.380
MAR-TRE-799db12b-3
0.380
MAR-TRE-9d18ae8c-46
0.380
MAR-TRE-66ac689e-54
0.378
MAR-TRE-be9ff7d2-89
0.377
MAR-TRE-a9136c7b-24
0.377
MAR-TRE-8190bb11-40
0.377
MAR-TRE-a9136c7b-31
0.376
MAR-TRE-c317dd82-74
0.375
MAR-TRE-4f781e27-2
0.375
MAR-TRE-9d18ae8c-30
0.375
MAR-TRE-9d18ae8c-36
0.375
MAR-TRE-66ac689e-33
0.375
MAR-TRE-8190bb11-80
0.375
MAR-TRE-9d18ae8c-49
0.373
MAR-TRE-4f781e27-28
0.373
MAR-TRE-8190bb11-88
0.372
MAR-TRE-8190bb11-73
0.372
MAR-TRE-9d18ae8c-7
0.370
MAR-TRE-799db12b-76
0.369
MAR-TRE-9d18ae8c-74
0.368
MAR-TRE-8190bb11-81
0.368
MAR-TRE-a9136c7b-11
0.368
MAR-TRE-c317dd82-81
0.367
MAR-TRE-4f781e27-65
0.367
MAR-TRE-9d18ae8c-11
0.366
MAR-TRE-9d18ae8c-43
0.366
MAR-TRE-8190bb11-8
0.366
MAR-TRE-8190bb11-31
0.366
MAR-TRE-be9ff7d2-1
0.365
MAR-TRE-92684b97-75
0.365
MAR-TRE-4f781e27-100
0.364
MAR-TRE-a9136c7b-100
0.362
MAR-TRE-92684b97-6
0.361
MAR-TRE-4f781e27-85
0.361
MAR-TRE-e82e6c98-25
0.360
MAR-TRE-799db12b-4
0.360
MAR-TRE-92684b97-72
0.360
MAR-TRE-e82e6c98-91
0.359
MAR-TRE-4f781e27-83
0.358
MAR-TRE-9d18ae8c-10
0.357
MAR-TRE-be9ff7d2-11
0.356
MAR-TRE-e82e6c98-57
0.356
MAR-TRE-e82e6c98-18
0.354