Molecular Properties | |
SMILES: | COC(=O)CCc1cccc(CNC(=O)c2cncnc2)c1 |
MW: | 299.13 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 81.18 |
cLogP: | 1.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
MAR-TRE-799db12b-44
0.592
MAR-TRE-8190bb11-34
0.547
MAR-TRE-9d18ae8c-53
0.527
MAR-TRE-799db12b-33
0.526
MAR-TRE-92684b97-54
0.521
MAR-TRE-66ac689e-37
0.514
MAR-TRE-66ac689e-73
0.514
MAR-TRE-799db12b-24
0.506
MAR-TRE-799db12b-16
0.500
MAR-TRE-799db12b-27
0.500
MAR-TRE-9d18ae8c-6
0.500
MAR-TRE-799db12b-3
0.487
MAR-TRE-9d18ae8c-54
0.487
MAR-TRE-799db12b-2
0.487
MAR-TRE-92684b97-81
0.487
MAR-TRE-8190bb11-80
0.481
MAR-TRE-9d18ae8c-30
0.481
MAR-TRE-66ac689e-33
0.481
MAR-TRE-66ac689e-1
0.475
MAR-TRE-9d18ae8c-11
0.469
MAR-TRE-8190bb11-8
0.469
MAR-TRE-8190bb11-31
0.469
MAR-TRE-9d18ae8c-43
0.469
MAR-TRE-9d18ae8c-18
0.468
MAR-TRE-9d18ae8c-46
0.468
MAR-TRE-4f781e27-2
0.463
MAR-TRE-9d18ae8c-36
0.463
MAR-TRE-9d18ae8c-52
0.463
MAR-TRE-9d18ae8c-7
0.457
MAR-TRE-92684b97-11
0.453
MAR-TRE-799db12b-76
0.452
MAR-TRE-799db12b-51
0.451
MAR-TRE-799db12b-69
0.451
MAR-TRE-4f781e27-92
0.449
MAR-TRE-66ac689e-12
0.447
MAR-TRE-be9ff7d2-17
0.447
MAR-TRE-9d18ae8c-89
0.446
MAR-TRE-799db12b-97
0.446
MAR-TRE-92684b97-6
0.446
MAR-TRE-66ac689e-54
0.446
MAR-TRE-9d18ae8c-34
0.446
MAR-TRE-799db12b-14
0.446
MAR-TRE-9d18ae8c-10
0.440
MAR-TRE-9d18ae8c-49
0.440
MAR-TRE-9d18ae8c-65
0.440
MAR-TRE-9d18ae8c-16
0.435
MAR-TRE-a9136c7b-11
0.432
MAR-TRE-8190bb11-24
0.431
MAR-TRE-8190bb11-85
0.431
MAR-TRE-4f781e27-55
0.430
MAR-TRE-799db12b-18
0.430
MAR-TRE-799db12b-4
0.425
MAR-TRE-8190bb11-86
0.425
MAR-TRE-92684b97-78
0.423
MAR-TRE-8190bb11-13
0.419
MAR-TRE-799db12b-9
0.411
MAR-TRE-799db12b-35
0.408
MAR-TRE-4f781e27-99
0.408
MAR-TRE-66ac689e-98
0.405
MAR-TRE-4f781e27-88
0.402
MAR-TRE-92684b97-96
0.402
MAR-TRE-be9ff7d2-67
0.394
MAR-TRE-4f781e27-83
0.393
MAR-TRE-e82e6c98-16
0.392
MAR-TRE-4f781e27-80
0.390
MAR-TRE-66ac689e-26
0.388
MAR-TRE-9d18ae8c-74
0.388
MAR-TRE-8190bb11-50
0.385
MAR-TRE-9d18ae8c-47
0.383
MAR-TRE-4f781e27-100
0.383
MAR-TRE-799db12b-84
0.380
MAR-TRE-8190bb11-95
0.378
MAR-TRE-92684b97-47
0.378
MAR-TRE-e82e6c98-25
0.378
MAR-TRE-be9ff7d2-49
0.377
MAR-TRE-66ac689e-69
0.375
MAR-TRE-92684b97-91
0.373
MAR-TRE-8190bb11-82
0.370
MAR-TRE-799db12b-87
0.369
MAR-TRE-9d18ae8c-81
0.369
MAR-TRE-be9ff7d2-1
0.367
MAR-TRE-8190bb11-58
0.366
MAR-TRE-be9ff7d2-90
0.364
MAR-TRE-a9136c7b-31
0.363
MAR-TRE-66ac689e-20
0.361
MAR-TRE-4f781e27-37
0.361
MAR-TRE-92684b97-14
0.361
MAR-TRE-e82e6c98-91
0.361
MAR-TRE-8190bb11-40
0.361
MAR-TRE-a9136c7b-78
0.360
MAR-TRE-4f781e27-48
0.360
MAR-TRE-8190bb11-42
0.359
MAR-TRE-4f781e27-28
0.358
MAR-TRE-9d18ae8c-48
0.358
MAR-TRE-66ac689e-21
0.357
MAR-TRE-4f781e27-35
0.357
MAR-TRE-92684b97-53
0.357
MAR-TRE-e82e6c98-14
0.357
MAR-TRE-e82e6c98-12
0.354
MAR-TRE-8190bb11-81
0.354