Molecular Properties | |
SMILES: | COCCN1C(=O)CC(CNC(=O)c2cncnc2)C1c1cnn(C)c1 |
MW: | 358.18 |
Fraction sp3: | 0.47 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 102.24 |
cLogP: | 0.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-77
0.667
MAR-TRE-e82e6c98-84
0.658
MAR-TRE-c317dd82-20
0.607
MAR-TRE-be9ff7d2-33
0.529
MAR-TRE-8190bb11-46
0.506
MAR-TRE-e82e6c98-82
0.488
MAR-TRE-799db12b-67
0.484
MAR-TRE-c317dd82-60
0.482
MAR-TRE-c317dd82-6
0.395
MAR-TRE-be9ff7d2-24
0.389
MAR-TRE-e82e6c98-10
0.382
MAR-TRE-be9ff7d2-80
0.379
MAR-TRE-c317dd82-54
0.376
MAR-TRE-be9ff7d2-100
0.375
MAR-TRE-c317dd82-51
0.372
MAR-TRE-e82e6c98-37
0.366
MAR-TRE-e82e6c98-22
0.365
MAR-TRE-e82e6c98-96
0.362
MAR-TRE-c317dd82-5
0.355
MAR-TRE-a9136c7b-83
0.354
MAR-TRE-be9ff7d2-96
0.354
MAR-TRE-e82e6c98-59
0.352
MAR-TRE-a9136c7b-86
0.351
MAR-TRE-a9136c7b-72
0.350
MAR-TRE-c317dd82-55
0.349
MAR-TRE-e82e6c98-16
0.345
MAR-TRE-be9ff7d2-14
0.344
MAR-TRE-e82e6c98-76
0.341
MAR-TRE-e82e6c98-12
0.341
MAR-TRE-be9ff7d2-95
0.340
MAR-TRE-799db12b-13
0.340
MAR-TRE-be9ff7d2-18
0.337
MAR-TRE-e82e6c98-35
0.337
MAR-TRE-e82e6c98-62
0.337
MAR-TRE-e82e6c98-4
0.337
MAR-TRE-c317dd82-11
0.333
MAR-TRE-be9ff7d2-51
0.333
MAR-TRE-e82e6c98-60
0.333
MAR-TRE-e82e6c98-48
0.333
MAR-TRE-e82e6c98-3
0.330
MAR-TRE-4f781e27-7
0.330
MAR-TRE-e82e6c98-61
0.330
MAR-TRE-be9ff7d2-92
0.326
MAR-TRE-e82e6c98-5
0.326
MAR-TRE-8190bb11-96
0.326
MAR-TRE-c317dd82-50
0.323
MAR-TRE-c317dd82-61
0.323
MAR-TRE-be9ff7d2-32
0.322
MAR-TRE-8190bb11-33
0.322
MAR-TRE-be9ff7d2-94
0.321
MAR-TRE-8190bb11-2
0.320
MAR-TRE-c317dd82-32
0.320
MAR-TRE-66ac689e-20
0.319
MAR-TRE-c317dd82-70
0.319
MAR-TRE-92684b97-11
0.318
MAR-TRE-e82e6c98-47
0.318
MAR-TRE-a9136c7b-95
0.316
MAR-TRE-a9136c7b-77
0.315
MAR-TRE-8190bb11-86
0.315
MAR-TRE-e82e6c98-8
0.315
MAR-TRE-e82e6c98-31
0.315
MAR-TRE-66ac689e-21
0.315
MAR-TRE-8190bb11-73
0.315
MAR-TRE-c317dd82-92
0.315
MAR-TRE-4f781e27-22
0.315
MAR-TRE-be9ff7d2-49
0.314
MAR-TRE-e82e6c98-26
0.314
MAR-TRE-e82e6c98-64
0.312
MAR-TRE-799db12b-7
0.312
MAR-TRE-66ac689e-29
0.312
MAR-TRE-e82e6c98-2
0.312
MAR-TRE-be9ff7d2-40
0.311
MAR-TRE-be9ff7d2-25
0.310
MAR-TRE-8190bb11-85
0.310
MAR-TRE-66ac689e-60
0.309
MAR-TRE-a9136c7b-2
0.309
MAR-TRE-799db12b-98
0.309
MAR-TRE-be9ff7d2-67
0.309
MAR-TRE-e82e6c98-36
0.309
MAR-TRE-4f781e27-89
0.309
MAR-TRE-c317dd82-72
0.309
MAR-TRE-be9ff7d2-82
0.309
MAR-TRE-799db12b-33
0.309
MAR-TRE-8190bb11-34
0.309
MAR-TRE-c317dd82-97
0.309
MAR-TRE-e82e6c98-56
0.308
MAR-TRE-a9136c7b-4
0.308
MAR-TRE-4f781e27-58
0.308
MAR-TRE-4f781e27-76
0.308
MAR-TRE-e82e6c98-71
0.307
MAR-TRE-a9136c7b-5
0.306
MAR-TRE-66ac689e-69
0.306
MAR-TRE-c317dd82-33
0.305
MAR-TRE-c317dd82-26
0.305
MAR-TRE-a9136c7b-47
0.305
MAR-TRE-4f781e27-83
0.305
MAR-TRE-4f781e27-97
0.305
MAR-TRE-e82e6c98-97
0.305
MAR-TRE-799db12b-44
0.304
MAR-TRE-8190bb11-95
0.304