Molecular Properties | |
SMILES: | O=C(O)c1ccnc(N2CCC(NC(=O)c3cncnc3)CC2)c1 |
MW: | 327.13 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 108.31 |
cLogP: | 0.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-a9136c7b-89
0.450
MAR-TRE-e82e6c98-65
0.447
MAR-TRE-a9136c7b-64
0.444
MAR-TRE-9d18ae8c-78
0.440
MAR-TRE-c317dd82-44
0.432
MAR-TRE-c317dd82-88
0.411
MAR-TRE-e82e6c98-25
0.404
MAR-TRE-c317dd82-8
0.403
MAR-TRE-be9ff7d2-58
0.403
MAR-TRE-c317dd82-89
0.400
MAR-TRE-be9ff7d2-8
0.400
MAR-TRE-be9ff7d2-42
0.392
MAR-TRE-799db12b-29
0.388
MAR-TRE-92684b97-20
0.383
MAR-TRE-e82e6c98-69
0.382
MAR-TRE-92684b97-7
0.370
MAR-TRE-c317dd82-3
0.370
MAR-TRE-c317dd82-46
0.362
MAR-TRE-e82e6c98-78
0.360
MAR-TRE-e82e6c98-24
0.356
MAR-TRE-c317dd82-65
0.348
MAR-TRE-c317dd82-14
0.345
MAR-TRE-c317dd82-69
0.337
MAR-TRE-be9ff7d2-53
0.333
MAR-TRE-e82e6c98-33
0.333
MAR-TRE-9d18ae8c-38
0.333
MAR-TRE-a9136c7b-96
0.326
MAR-TRE-a9136c7b-95
0.322
MAR-TRE-9d18ae8c-80
0.322
MAR-TRE-8190bb11-28
0.321
MAR-TRE-8190bb11-42
0.321
MAR-TRE-92684b97-57
0.321
MAR-TRE-be9ff7d2-95
0.319
MAR-TRE-e82e6c98-99
0.318
MAR-TRE-799db12b-52
0.318
MAR-TRE-8190bb11-41
0.318
MAR-TRE-8190bb11-57
0.317
MAR-TRE-92684b97-40
0.317
MAR-TRE-be9ff7d2-62
0.315
MAR-TRE-c317dd82-82
0.313
MAR-TRE-be9ff7d2-23
0.313
MAR-TRE-8190bb11-53
0.313
MAR-TRE-e82e6c98-96
0.312
MAR-TRE-8190bb11-90
0.311
MAR-TRE-8190bb11-93
0.311
MAR-TRE-be9ff7d2-69
0.310
MAR-TRE-e82e6c98-81
0.310
MAR-TRE-c317dd82-18
0.310
MAR-TRE-92684b97-52
0.309
MAR-TRE-be9ff7d2-19
0.306
MAR-TRE-c317dd82-78
0.305
MAR-TRE-be9ff7d2-38
0.305
MAR-TRE-799db12b-51
0.304
AAR-POS-0daf6b7e-5
0.304
MAR-TRE-be9ff7d2-74
0.304
MAR-TRE-be9ff7d2-47
0.304
MAR-TRE-9d18ae8c-98
0.303
MAR-TRE-be9ff7d2-22
0.302
MAR-TRE-66ac689e-51
0.302
MAR-TRE-a9136c7b-66
0.301
MAR-TRE-a9136c7b-44
0.300
MAR-TRE-c317dd82-61
0.300
MAR-TRE-e82e6c98-70
0.300
MAR-TRE-9d18ae8c-57
0.299
MAR-TRE-66ac689e-85
0.299
MAR-TRE-be9ff7d2-75
0.298
MAR-TRE-4f781e27-17
0.298
MAR-TRE-9d18ae8c-93
0.298
MAR-TRE-4f781e27-18
0.297
MAR-TRE-a9136c7b-47
0.297
MAR-TRE-e82e6c98-53
0.297
MAR-TRE-a9136c7b-35
0.297
MAR-TRE-e82e6c98-30
0.296
MAR-TRE-c317dd82-6
0.295
MAR-TRE-e82e6c98-28
0.295
MAR-TRE-66ac689e-20
0.295
MAR-TRE-8190bb11-75
0.295
MAR-TRE-c317dd82-28
0.294
MAR-TRE-e82e6c98-22
0.294
MAR-TRE-9d18ae8c-67
0.294
MAR-TRE-be9ff7d2-88
0.293
MAR-TRE-e82e6c98-47
0.293
MAR-TRE-8190bb11-6
0.292
MAR-TRE-be9ff7d2-30
0.292
MAR-TRE-799db12b-89
0.292
MAR-TRE-9d18ae8c-6
0.292
MAR-TRE-92684b97-62
0.292
MAR-TRE-be9ff7d2-17
0.291
MAR-TRE-92684b97-39
0.291
MAR-TRE-a9136c7b-76
0.290
MAR-TRE-e82e6c98-74
0.289
MAR-TRE-799db12b-7
0.289
MAR-TRE-66ac689e-31
0.289
MAR-TRE-66ac689e-34
0.289
MAR-TRE-9d18ae8c-90
0.289
MAR-TRE-8190bb11-99
0.289
MAR-TRE-e82e6c98-21
0.289
MAR-TRE-8190bb11-27
0.289
MAR-TRE-66ac689e-26
0.287
MAR-TRE-be9ff7d2-84
0.287