Molecular Properties | |
SMILES: | Cc1cnc2[nH]cc(CCNC(=O)c3cncnc3)c2c1 |
MW: | 281.13 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 83.56 |
cLogP: | 1.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-4f781e27-82
0.519
MAR-TRE-92684b97-67
0.500
MAR-TRE-be9ff7d2-73
0.494
MAR-TRE-be9ff7d2-39
0.487
MAR-TRE-e82e6c98-51
0.481
ROM-UNK-ef52a3c9-4
0.481
MAR-TRE-4f781e27-23
0.469
MAR-TRE-be9ff7d2-40
0.400
MAR-TRE-e82e6c98-75
0.392
MAR-TRE-8190bb11-95
0.390
MAR-TRE-c317dd82-26
0.388
MAR-TRE-c317dd82-56
0.386
MAR-TRE-4f781e27-16
0.383
MAR-TRE-66ac689e-59
0.380
ROM-UNK-ef52a3c9-3
0.363
MAR-TRE-4f781e27-58
0.361
MAR-TRE-e82e6c98-85
0.360
MAK-UNK-10572812-16
0.352
MAR-TRE-8190bb11-96
0.350
MAR-TRE-e82e6c98-76
0.350
MAR-TRE-e82e6c98-29
0.349
MAR-TRE-4f781e27-96
0.345
MAR-TRE-e82e6c98-47
0.342
MAR-TRE-4f781e27-85
0.342
MAR-TRE-92684b97-46
0.341
MAR-TRE-be9ff7d2-37
0.341
MAR-TRE-e82e6c98-26
0.338
MAR-TRE-e82e6c98-14
0.337
MAR-TRE-4f781e27-49
0.333
MAR-TRE-92684b97-64
0.330
MAR-TRE-4f781e27-19
0.329
MAR-TRE-a9136c7b-60
0.326
MAR-TRE-66ac689e-35
0.326
MAR-TRE-be9ff7d2-43
0.325
MAR-TRE-be9ff7d2-90
0.325
MAK-UNK-37f1d6fa-3
0.324
MAR-TRE-be9ff7d2-17
0.321
MAR-TRE-be9ff7d2-98
0.321
MAR-TRE-be9ff7d2-19
0.321
MAR-TRE-be9ff7d2-49
0.321
MAR-TRE-be9ff7d2-5
0.319
MAR-TRE-c317dd82-37
0.318
MAR-TRE-e82e6c98-12
0.318
MAR-TRE-be9ff7d2-41
0.317
MAR-TRE-8190bb11-24
0.316
MAR-TRE-be9ff7d2-67
0.316
MAR-TRE-e82e6c98-35
0.314
MAR-TRE-be9ff7d2-32
0.314
MAR-TRE-e82e6c98-68
0.312
MAR-TRE-4f781e27-6
0.312
MAR-TRE-4f781e27-83
0.311
MAR-TRE-8190bb11-39
0.311
MAR-TRE-e82e6c98-91
0.310
MAR-TRE-92684b97-14
0.310
MAR-TRE-e82e6c98-22
0.310
MAR-TRE-e82e6c98-48
0.310
MAR-TRE-92684b97-11
0.310
MAR-TRE-92684b97-13
0.310
MAR-TRE-8190bb11-13
0.309
MAR-TRE-e82e6c98-77
0.309
MAR-TRE-be9ff7d2-7
0.309
MAR-TRE-66ac689e-91
0.308
MAR-TRE-92684b97-78
0.308
MAR-TRE-8190bb11-30
0.307
MAR-TRE-799db12b-16
0.307
MAR-TRE-92684b97-91
0.307
MAR-TRE-c317dd82-92
0.306
MAR-TRE-4f781e27-28
0.306
MAR-TRE-9d18ae8c-48
0.306
MAR-TRE-a9136c7b-23
0.305
MAR-TRE-e82e6c98-57
0.305
MAR-TRE-8190bb11-42
0.305
MAR-TRE-92684b97-74
0.305
MAR-TRE-be9ff7d2-11
0.305
MAR-TRE-9d18ae8c-43
0.304
MAR-TRE-c317dd82-12
0.304
MAR-TRE-e82e6c98-50
0.302
MAR-TRE-a9136c7b-28
0.302
MAR-TRE-66ac689e-98
0.302
MAR-TRE-92684b97-54
0.302
MAR-TRE-799db12b-20
0.302
MAR-TRE-e82e6c98-23
0.301
MAR-TRE-799db12b-35
0.301
MAR-TRE-c317dd82-63
0.301
MAR-TRE-e82e6c98-92
0.301
MAR-TRE-be9ff7d2-82
0.300
MAR-TRE-8190bb11-85
0.300
MAR-TRE-a9136c7b-51
0.300
MAR-TRE-9d18ae8c-46
0.300
MAR-TRE-c317dd82-22
0.299
MAR-TRE-66ac689e-73
0.299
MAR-TRE-8190bb11-33
0.299
MAR-TRE-c317dd82-86
0.299
MAR-TRE-be9ff7d2-1
0.298
MAR-TRE-a9136c7b-80
0.297
MAR-TRE-9d18ae8c-55
0.297
MAR-TRE-be9ff7d2-65
0.296
MAR-TRE-c317dd82-70
0.295
MAR-TRE-9d18ae8c-53
0.295
MAR-TRE-c317dd82-55
0.294