Molecular Properties | |
SMILES: | CC1OCC2(CCC(CNC(=O)c3cncnc3)O2)C1C |
MW: | 291.16 |
Fraction sp3: | 0.67 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 73.34 |
cLogP: | 1.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-40
0.520
MAR-TRE-c317dd82-4
0.506
MAR-TRE-e82e6c98-48
0.423
MAR-TRE-e82e6c98-2
0.410
MAR-TRE-e82e6c98-36
0.405
MAR-TRE-be9ff7d2-51
0.384
MAR-TRE-8190bb11-39
0.384
MAR-TRE-e82e6c98-61
0.381
MAR-TRE-66ac689e-67
0.376
MAR-TRE-799db12b-18
0.374
MAR-TRE-c317dd82-50
0.371
MAR-TRE-c317dd82-33
0.368
MAR-TRE-4f781e27-76
0.357
MAR-TRE-799db12b-59
0.356
MAR-TRE-e82e6c98-10
0.356
MAR-TRE-e82e6c98-37
0.356
MAR-TRE-92684b97-52
0.354
MAR-TRE-c317dd82-29
0.354
MAR-TRE-a9136c7b-85
0.352
MAR-TRE-8190bb11-2
0.351
MAR-TRE-4f781e27-22
0.349
MAR-TRE-be9ff7d2-41
0.346
MAR-TRE-be9ff7d2-54
0.345
MAR-TRE-799db12b-7
0.345
MAR-TRE-e82e6c98-34
0.341
MAR-TRE-be9ff7d2-80
0.340
MAR-TRE-c317dd82-6
0.337
MAR-TRE-799db12b-21
0.337
MAR-TRE-e82e6c98-3
0.333
MAR-TRE-c317dd82-51
0.333
MAR-TRE-be9ff7d2-91
0.330
MAR-TRE-be9ff7d2-95
0.330
MAR-TRE-c317dd82-81
0.330
MAR-TRE-c317dd82-37
0.330
MAR-TRE-8190bb11-46
0.330
MAR-TRE-e82e6c98-55
0.329
MAR-TRE-e82e6c98-62
0.326
MAR-TRE-e82e6c98-56
0.326
MAR-TRE-c317dd82-86
0.326
MAR-TRE-e82e6c98-71
0.325
MAR-TRE-9d18ae8c-76
0.325
MAR-TRE-be9ff7d2-24
0.323
MAR-TRE-a9136c7b-7
0.323
MAR-TRE-c317dd82-25
0.322
MAR-TRE-92684b97-14
0.322
MAR-TRE-c317dd82-49
0.320
MAR-TRE-e82e6c98-82
0.319
MAR-TRE-be9ff7d2-99
0.319
MAR-TRE-4f781e27-77
0.318
MAR-TRE-be9ff7d2-14
0.318
MAR-TRE-e82e6c98-1
0.318
MAR-TRE-a9136c7b-54
0.318
MAR-TRE-be9ff7d2-19
0.318
MAR-TRE-92684b97-83
0.318
MAR-TRE-92684b97-74
0.317
MAR-TRE-c317dd82-47
0.316
MAR-TRE-a9136c7b-83
0.316
MAR-TRE-c317dd82-5
0.315
MAR-TRE-c317dd82-12
0.315
MAR-TRE-c317dd82-60
0.315
MAR-TRE-c317dd82-85
0.315
MAR-TRE-799db12b-51
0.315
MAR-TRE-799db12b-13
0.315
MAR-TRE-e82e6c98-64
0.315
MAR-TRE-be9ff7d2-81
0.315
MAR-TRE-be9ff7d2-70
0.314
MAR-TRE-be9ff7d2-68
0.314
MAR-TRE-e82e6c98-4
0.312
MAR-TRE-e82e6c98-84
0.312
MAR-TRE-799db12b-4
0.312
MAR-TRE-c317dd82-83
0.312
MAR-TRE-9d18ae8c-96
0.312
MAR-TRE-be9ff7d2-55
0.311
MAR-TRE-c317dd82-34
0.310
MAR-TRE-8190bb11-33
0.310
MAR-TRE-e82e6c98-35
0.310
MAR-TRE-4f781e27-100
0.310
MAR-TRE-66ac689e-59
0.310
MAR-TRE-c317dd82-75
0.309
MAR-TRE-c317dd82-32
0.309
MAR-TRE-be9ff7d2-100
0.309
MAR-TRE-9d18ae8c-13
0.308
MAR-TRE-9d18ae8c-55
0.308
MAR-TRE-9d18ae8c-32
0.308
MAR-TRE-4f781e27-92
0.307
MAR-TRE-9d18ae8c-84
0.307
MAR-TRE-a9136c7b-24
0.307
MAR-TRE-be9ff7d2-33
0.306
MAR-TRE-e82e6c98-22
0.306
MAR-TRE-be9ff7d2-69
0.306
MAR-TRE-92684b97-11
0.306
MAR-TRE-8190bb11-9
0.305
MAR-TRE-4f781e27-41
0.305
MAR-TRE-be9ff7d2-77
0.304
MAR-TRE-a9136c7b-14
0.304
MAR-TRE-4f781e27-7
0.303
MAR-TRE-be9ff7d2-96
0.303
MAR-TRE-9d18ae8c-48
0.302
MAR-TRE-c317dd82-67
0.302
MAR-TRE-4f781e27-8
0.302