Molecular Properties | |
SMILES: | CCN1C(=O)COC(CNC(=O)c2cncnc2)C1c1nccn1C |
MW: | 344.16 |
Fraction sp3: | 0.44 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 102.24 |
cLogP: | -0.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-80
0.646
MAR-TRE-be9ff7d2-24
0.639
MAR-TRE-be9ff7d2-96
0.533
MAR-TRE-e82e6c98-37
0.523
MAR-TRE-c317dd82-51
0.511
MAR-TRE-e82e6c98-3
0.446
MAR-TRE-e82e6c98-62
0.440
MAR-TRE-e82e6c98-4
0.436
MAR-TRE-be9ff7d2-33
0.398
MAR-TRE-c317dd82-61
0.396
MAR-TRE-e82e6c98-49
0.375
MAR-TRE-be9ff7d2-77
0.372
MAR-TRE-c317dd82-60
0.368
MAR-TRE-e82e6c98-61
0.359
MAR-TRE-8190bb11-46
0.355
MAR-TRE-e82e6c98-10
0.351
MAR-TRE-a9136c7b-86
0.351
MAR-TRE-c317dd82-50
0.351
MAR-TRE-e82e6c98-84
0.350
MAR-TRE-be9ff7d2-51
0.347
MAR-TRE-be9ff7d2-75
0.347
MAR-TRE-e82e6c98-82
0.344
MAR-TRE-c317dd82-20
0.337
MAR-TRE-e82e6c98-48
0.333
MAR-TRE-799db12b-67
0.327
MAR-TRE-a9136c7b-83
0.327
MAR-TRE-8190bb11-8
0.327
MAR-TRE-e82e6c98-2
0.326
MAR-TRE-be9ff7d2-92
0.326
MAR-TRE-66ac689e-85
0.323
MAR-TRE-c317dd82-6
0.319
MAR-TRE-4f781e27-92
0.319
MAR-TRE-be9ff7d2-43
0.319
MAR-TRE-e82e6c98-22
0.319
MAR-TRE-e82e6c98-47
0.318
MAR-TRE-66ac689e-56
0.316
MAR-TRE-4f781e27-8
0.314
MAR-TRE-c317dd82-5
0.313
MAR-TRE-e82e6c98-64
0.312
MAR-TRE-e82e6c98-12
0.312
MAR-TRE-c317dd82-29
0.311
MAR-TRE-e82e6c98-40
0.309
MAR-TRE-e82e6c98-36
0.309
MAR-TRE-8190bb11-33
0.309
MAR-TRE-c317dd82-40
0.309
MAR-TRE-e82e6c98-96
0.307
MAR-TRE-a9136c7b-85
0.307
MAR-TRE-a9136c7b-47
0.306
MAR-TRE-c317dd82-33
0.306
MAR-TRE-e82e6c98-6
0.306
MAR-TRE-8190bb11-93
0.306
MAR-TRE-e82e6c98-60
0.305
MAR-TRE-be9ff7d2-42
0.304
MAR-TRE-be9ff7d2-52
0.304
MAR-TRE-8190bb11-9
0.304
MAR-TRE-a9136c7b-95
0.303
MAR-TRE-8190bb11-89
0.302
MAR-TRE-4f781e27-7
0.302
MAR-TRE-66ac689e-21
0.302
MAR-TRE-be9ff7d2-19
0.301
MAR-TRE-e82e6c98-26
0.300
MAR-TRE-c317dd82-85
0.300
MAR-TRE-4f781e27-88
0.299
MAR-TRE-e82e6c98-5
0.299
MAR-TRE-799db12b-7
0.299
MAR-TRE-66ac689e-67
0.299
MAR-TRE-4f781e27-65
0.299
MAR-TRE-92684b97-42
0.299
MAR-TRE-66ac689e-26
0.298
MAR-TRE-799db12b-21
0.297
MAR-TRE-c317dd82-83
0.297
MAR-TRE-a9136c7b-2
0.297
MAR-TRE-be9ff7d2-55
0.296
MAR-TRE-799db12b-28
0.296
MAR-TRE-8190bb11-2
0.295
MAR-TRE-e82e6c98-35
0.295
MAR-TRE-e82e6c98-56
0.295
MAR-TRE-c317dd82-34
0.295
MAR-TRE-4f781e27-76
0.295
MAR-TRE-c317dd82-11
0.294
MAR-TRE-c317dd82-25
0.293
MAR-TRE-a9136c7b-35
0.293
MAR-TRE-a9136c7b-96
0.293
MAR-TRE-8190bb11-39
0.293
MAR-TRE-66ac689e-20
0.292
MAR-TRE-be9ff7d2-13
0.290
MAR-TRE-c317dd82-69
0.290
MAR-TRE-66ac689e-91
0.290
MAR-TRE-be9ff7d2-99
0.290
MAR-TRE-92684b97-52
0.289
MAR-TRE-c317dd82-4
0.289
MAR-TRE-be9ff7d2-14
0.289
MAR-TRE-8190bb11-30
0.289
MAR-TRE-be9ff7d2-30
0.289
MAR-TRE-a9136c7b-63
0.288
MAR-TRE-799db12b-18
0.288
MAR-TRE-a9136c7b-6
0.288
MAR-TRE-c317dd82-92
0.287
MAR-TRE-4f781e27-22
0.287
MAR-TRE-a9136c7b-52
0.287