Molecular Properties | |
SMILES: | Cn1cncc1C1C(CNC(=O)c2cncnc2)CCCN1C1CC1 |
MW: | 340.2 |
Fraction sp3: | 0.56 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 75.94 |
cLogP: | 1.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-3
0.472
MAR-TRE-e82e6c98-37
0.466
MAR-TRE-be9ff7d2-80
0.446
MAR-TRE-c317dd82-60
0.407
MAR-TRE-e82e6c98-10
0.404
MAR-TRE-8190bb11-46
0.393
MAR-TRE-e82e6c98-82
0.380
MAR-TRE-be9ff7d2-77
0.380
MAR-TRE-c317dd82-57
0.375
MAR-TRE-c317dd82-51
0.365
MAR-TRE-e82e6c98-62
0.358
MAR-TRE-e82e6c98-48
0.356
MAR-TRE-e82e6c98-49
0.354
MAR-TRE-be9ff7d2-92
0.348
MAR-TRE-799db12b-67
0.346
MAR-TRE-e82e6c98-4
0.343
MAR-TRE-e82e6c98-84
0.343
MAR-TRE-c317dd82-20
0.343
MAR-TRE-c317dd82-6
0.341
MAR-TRE-e82e6c98-26
0.337
MAR-TRE-be9ff7d2-95
0.333
MAR-TRE-4f781e27-65
0.333
MAR-TRE-799db12b-13
0.333
MAR-TRE-a9136c7b-72
0.330
MAR-TRE-e82e6c98-92
0.330
MAR-TRE-be9ff7d2-24
0.327
MAR-TRE-be9ff7d2-100
0.327
MAR-TRE-e82e6c98-47
0.326
MAR-TRE-92684b97-52
0.326
MAR-TRE-be9ff7d2-14
0.323
MAR-TRE-e82e6c98-8
0.323
MAR-TRE-be9ff7d2-96
0.320
MAR-TRE-c317dd82-67
0.320
MAR-TRE-c317dd82-5
0.320
MAR-TRE-e82e6c98-64
0.319
MAR-TRE-e82e6c98-2
0.319
MAR-TRE-a9136c7b-6
0.318
MAR-TRE-c317dd82-83
0.316
MAR-TRE-799db12b-65
0.316
MAR-TRE-e82e6c98-85
0.316
MAR-TRE-e82e6c98-40
0.316
MAR-TRE-e82e6c98-35
0.315
MAR-TRE-4f781e27-76
0.315
MAR-TRE-c317dd82-26
0.312
MAR-TRE-c317dd82-33
0.312
MAR-TRE-be9ff7d2-51
0.312
MAR-TRE-e82e6c98-97
0.312
MAR-TRE-e82e6c98-22
0.311
MAR-TRE-be9ff7d2-33
0.311
MAR-TRE-e82e6c98-61
0.309
MAR-TRE-e82e6c98-93
0.309
MAR-TRE-4f781e27-77
0.309
MAR-TRE-c317dd82-4
0.309
MAR-TRE-4f781e27-7
0.309
MAR-TRE-4f781e27-22
0.308
MAR-TRE-799db12b-18
0.307
MAR-TRE-c317dd82-85
0.306
MAR-TRE-e82e6c98-5
0.305
MAR-TRE-66ac689e-67
0.305
MAR-TRE-e82e6c98-25
0.304
MAR-TRE-c317dd82-50
0.303
MAR-TRE-66ac689e-60
0.303
MAR-TRE-be9ff7d2-55
0.302
MAR-TRE-be9ff7d2-82
0.302
MAR-TRE-be9ff7d2-60
0.302
MAR-TRE-799db12b-48
0.302
MAR-TRE-e82e6c98-56
0.301
MAR-TRE-c317dd82-40
0.301
MAR-TRE-8190bb11-33
0.301
MAR-TRE-a9136c7b-5
0.300
MAR-TRE-a9136c7b-85
0.300
MAR-TRE-c317dd82-11
0.300
MAR-TRE-be9ff7d2-59
0.299
MAR-TRE-c317dd82-74
0.299
MAR-TRE-e82e6c98-60
0.298
MAR-TRE-be9ff7d2-42
0.297
MAR-TRE-be9ff7d2-99
0.296
MAR-TRE-e82e6c98-77
0.295
MAR-TRE-799db12b-89
0.295
MAR-TRE-66ac689e-21
0.295
MAR-TRE-8190bb11-30
0.295
MAR-TRE-92684b97-62
0.295
MAR-TRE-4f781e27-8
0.294
MAR-TRE-be9ff7d2-19
0.293
MAR-TRE-92684b97-39
0.293
MAR-TRE-92684b97-83
0.293
MAR-TRE-799db12b-11
0.293
MAR-TRE-a9136c7b-76
0.293
MAR-TRE-be9ff7d2-49
0.292
MAR-TRE-be9ff7d2-81
0.292
MAR-TRE-66ac689e-29
0.292
MAR-TRE-66ac689e-34
0.292
MAR-TRE-799db12b-52
0.292
MAR-TRE-e82e6c98-21
0.291
MAR-TRE-e82e6c98-12
0.290
MAR-TRE-be9ff7d2-70
0.290
MAR-TRE-be9ff7d2-40
0.290
MAR-TRE-8190bb11-82
0.290
MAR-TRE-799db12b-98
0.290
MAR-TRE-c317dd82-58
0.290